SCHEMBL25858113

SCHEMBL25858113

CC(C)(C)c1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1cc(C(C)(C)C)ccc1-2

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.52
NPC1 O15118 2/20 0.52
CASP3 P42574 2/20 0.52
RAB9A P51151 2/20 0.52
SENP8 Q96LD8 2/20 0.52
SENP7 Q9BQF6 2/20 0.52
SENP6 Q9GZR1 2/20 0.52
PLA2G1B P04054 1/20 0.52
NFKB1 P19838 1/20 0.52
NFKB2 Q00653 1/20 0.52
RELA Q04206 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
ATG4B Q9Y4P1 1/20 0.52
ESR1 P03372 1/20 0.39
ESR2 Q92731 1/20 0.39
PDK2 Q15119 10/20 0.38
LMNA P02545 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL30421958 1.00 ALDH1A1 (0.52) ALDH1A1NPC1CASP3RAB9ASENP8
SCHEMBL21215242 1.00 ALDH1A1 (0.52) ALDH1A1NPC1CASP3RAB9ASENP8
SCHEMBL19934339 1.00 ALDH1A1 (0.52) ALDH1A1NPC1CASP3RAB9ASENP8
SCHEMBL19773711 0.98 ALDH1A1 (0.50) ALDH1A1NPC1CASP3RAB9ASENP8
SCHEMBL30501010 0.92 NPC1 (0.62) ALDH1A1NPC1CASP3RAB9ASENP8
SCHEMBL29056149 0.92 NPC1 (0.62) ALDH1A1NPC1CASP3RAB9ASENP8
SCHEMBL24184260 0.90 ALDH1A1 (0.44) ALDH1A1NPC1CASP3RAB9ASENP8
SCHEMBL3885909 0.90 PDK2 (0.49) ALDH1A1NPC1CASP3RAB9ASENP8
SCHEMBL22744936 0.90 PDK2 (0.49) ALDH1A1NPC1CASP3RAB9ASENP8
SCHEMBL13850600 0.90 ALDH1A1 (0.44) ALDH1A1NPC1CASP3RAB9ASENP8

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230247896-A1 Compound of Formula (I), a Semiconductor Material Comprising at Least One Compound of Formula (I), a Semiconductor Layer Comprising at Least One Compound of Formula (I) and an Electronic Device Comprising at Least One Compound of Formula (I) NOVALED GMBH (DE) 2023-08-03 US disclosed
US-20230247901-A1 Organic Electronic Device Comprising a Compound of Formula (I), Display Device Comprising the Organic Electronic Device as Well as Compounds of Formula (I) for Use in Organic Electronic Devices NOVALED GMBH (DE) 2023-08-03 US disclosed
US-20230247900-A1 Organic Compound of Formula (I) for Use in Organic Electronic Devices, an Organic Electronic Device Comprising a Compound of Formula (I) and a Display Device Comprising the Organic Electronic Device NOVALED GMBH (DE) 2023-08-03 US disclosed
US-20230240138-A1 Organic Electronic Device and Display Device Comprising the Organic Electronic Device as Well as a Composition for Use in Organic Electronic Devices NOVALED GMBH (DE) 2023-07-27 US disclosed
US-20230240132-A1 Organic Electronic Device Comprising a Compound of Formula (1), Display Device Comprising the Organic Electronic Device as Well as Compounds of Formula (1) for Use in Organic Electronic Devices NOVALED GMBH (DE) 2023-07-27 US disclosed
US-20230240139-A1 Organic Compound of Formula (I) for Use in Organic Electronic Devices, a Composition Comprising a Compound of Formula (IV) and at Least One Compound of Formula (IVa) to (IVd), an Organic Semiconductor Layer Comprising the Compound or Composition, an Organic Electronic Device Comprising the Organic Semiconductor Layer, and a Display Device Comprising the Organic Electronic Device NOVALED GMBH (DE) 2023-07-27 US disclosed
US-20230227401-A1 Organic Compound of Formula (I) for Use in Organic Electronic Devices, a Composition Comprising a Compound of Formula (IV) and at Least One Compound of Formula (IVa) to (IVd), an Organic Semiconductor Layer Comprising the Compound or Composition, an Organic Electronic Device Comprising the Organic Semiconductor Layer, and a Display Device Comprising the Organic Electronic Device NOVALED GMBH (DE) 2023-07-20 US disclosed
US-20230232711-A1 Organic Electronic Device Comprising a Compound of Formula (I), Display Device Comprising the Organic Electronic Device as Well as Compounds of Formula (I) for Use in Organic Electronic Devices NOVALED GMBH (DE) 2023-07-20 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20230240139-A1 Organic Compound of Formula (I) for Use in Organic Electronic Devices, a Composition Comprising a Compound of Formula (IV) and at Least One Compound of Formula (IVa) to (IVd), an Organic Semiconductor Layer Comprising the Compound or Composition, an Organic Electronic Device Comprising the Organic Semiconductor Layer, and a Display Device Comprising the Organic Electronic Device CFD, OCIAD2, OCIAD1 ALDH1A1 435/4885NPC1 2436/4885CASP3 2838/4885
US-20230227401-A1 Organic Compound of Formula (I) for Use in Organic Electronic Devices, a Composition Comprising a Compound of Formula (IV) and at Least One Compound of Formula (IVa) to (IVd), an Organic Semiconductor Layer Comprising the Compound or Composition, an Organic Electronic Device Comprising the Organic Semiconductor Layer, and a Display Device Comprising the Organic Electronic Device CFD, OCIAD2, OCIAD1 ALDH1A1 435/4885NPC1 2436/4885CASP3 2838/4885
US-20230240132-A1 Organic Electronic Device Comprising a Compound of Formula (1), Display Device Comprising the Organic Electronic Device as Well as Compounds of Formula (1) for Use in Organic Electronic Devices CYP1B1, AOX1, CYP1A1 ALDH1A1 23/4885NPC1 1915/4885CASP3 4080/4885
US-20230247900-A1 Organic Compound of Formula (I) for Use in Organic Electronic Devices, an Organic Electronic Device Comprising a Compound of Formula (I) and a Display Device Comprising the Organic Electronic Device AOX1, CYP2C19, CYP2C9 ALDH1A1 58/4885NPC1 2069/4885CASP3 3319/4885
US-20230247901-A1 Organic Electronic Device Comprising a Compound of Formula (I), Display Device Comprising the Organic Electronic Device as Well as Compounds of Formula (I) for Use in Organic Electronic Devices AOX1, CYP2C19, CYP2C9 ALDH1A1 63/4885NPC1 2772/4885CASP3 3487/4885
US-20230247896-A1 Compound of Formula (I), a Semiconductor Material Comprising at Least One Compound of Formula (I), a Semiconductor Layer Comprising at Least One Compound of Formula (I) and an Electronic Device Comprising at Least One Compound of Formula (I) C5, AFF2, SCO2 ALDH1A1 1454/4885NPC1 2714/4885CASP3 2581/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.