SCHEMBL21787835

SCHEMBL21787835

COc1ccc(N(N)c2ccc3c(c2)C(C)(C)c2ccccc2-3)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PGR P06401 1/20 0.42
▸ PDK2 Q15119 5/20 0.42
▸ NPC1 O15118 1/20 0.38
▸ TP53 P04637 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ MAOA P21397 1/20 0.38
▸ PTGS2 P35354 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ ABL1 P00519 1/20 0.36
▸ ABCB1 P08183 1/20 0.36
▸ BCR P11274 1/20 0.36
▸ RPS6KA2 Q15349 1/20 0.35
▸ PDE4D Q08499 1/20 0.35
▸ GPR3 P46089 1/20 0.35
▸ CES1 P23141 1/20 0.35
▸ HTR2A P28223 1/20 0.34
▸ HTR2C P28335 1/20 0.34
▸ ALOX15 P16050 1/20 0.33

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
SCHEMBL12703005 0.88 PDK2 (0.43) PGRPDK2MAPTSMN1; SMN2HTR2A
SCHEMBL24177663 0.88 GAA (0.40) PGRPDK2MAPTHPGDRAB9A
SCHEMBL21787897 0.87 PDK2 (0.43) PGRPDK2NPC1TP53MAPT
SCHEMBL21416352 0.87 PDK2 (0.43) PGRPDK2HTR2AHTR2C
SCHEMBL15185753 0.86 PGR (0.44) PGRPDK2NPC1TP53MAPT
SCHEMBL24177613 0.84 PDK2 (0.38) PGRPDK2RAB9ASMN1; SMN2CES1
SCHEMBL24177579 0.84 PDK2 (0.40) PGRPDK2MAPTSMN1; SMN2HTR2A
SCHEMBL10057765 0.83 PGR (0.42) PGRPDK2NPC1TP53MAPT
SCHEMBL21787751 0.83 PDK2 (0.39) PDK2NPC1MAPTRAB9ASMN1; SMN2
SCHEMBL12703011 0.83 PDK2 (0.38) PDK2HTR2AHTR2C

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220006020-A1 DI-, TRI- AND TETRAPHENYLINDANE DERIVATES AND THEIR USE IN ORGANIC ELECTRONICS DOTTIKON ES HOLDING AG (CH) 2022-01-06 — — US disclosed
US-20200075862-A1 INDANE DERIVATIVES AND THEIR USE IN ORGANIC ELECTRONICS DOTTIKON ES HOLDING AG (CH) 2020-03-05 — — 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 (2 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-20220006020-A1 DI-, TRI- AND TETRAPHENYLINDANE DERIVATES AND THEIR USE IN ORGANIC ELECTRONICS NR0B2, KCNJ2, TRRAP PGR 731/4885PDK2 1160/4885NPC1 2276/4885
US-20200075862-A1 INDANE DERIVATIVES AND THEIR USE IN ORGANIC ELECTRONICS KCNJ2, KCNA2, CYP2J2 PGR 378/4885PDK2 1400/4885NPC1 684/4885

“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.

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