SCHEMBL3150263

SCHEMBL3150263

C#Cc1ccc2c(c1)C(c1ccc(N)c(C)c1)(c1ccc(N)c(C)c1)c1cc(C#C)ccc1-2

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.38
ESR2 Q92731 1/20 0.38
ALDH1A1 P00352 1/20 0.34
CYP3A4 P08684 1/20 0.34
TSHR P16473 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
PDE4D Q08499 2/20 0.31
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30
OPRK1 P41145 1/20 0.30
KMT2A Q03164 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL3675046 0.82 ESR1 (0.41) ESR1ESR2ALDH1A1CYP3A4TSHR
SCHEMBL3150471 0.81 ESR1 (0.35) ESR1ESR2ALDH1A1CYP3A4TSHR
SCHEMBL3146501 0.80 MAPT (0.50) PDE4DKDM4EMEN1LMNAMAPT
SCHEMBL2710475 0.79 ESR1 (0.38) ESR1ESR2ALDH1A1TDP1PDE4D
SCHEMBL10299748 0.79 ALK (0.36) ESR1ESR2PDE4D
SCHEMBL3155226 0.78 ESR1 (0.41) ESR1ESR2ALDH1A1CYP3A4TSHR
SCHEMBL30362289 0.77 CYP3A4 (0.50) ESR1ESR2ALDH1A1CYP3A4TSHR
SCHEMBL2810033 0.77 CYP3A4 (0.50) ESR1ESR2ALDH1A1CYP3A4TSHR
SCHEMBL29684394 0.75 PDK2 (0.33) PDE4D
SCHEMBL449262 0.75 PDK2 (0.33) PDE4D

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-8218937-B2 Optical film, image display device, diethynylfluorene, and polymer thereof NITTO DENKO CORPORATION (JP) 2012-07-10 US disclosed
US-20100003490-A1 OPTICAL FILM, IMAGE DISPLAY DEVICE, DIETHYNYLFLUORENE, AND POLYMER THEREOF NITTO DENKO CORPORATION (JP) 2010-01-07 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 (1 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-20100003490-A1 OPTICAL FILM, IMAGE DISPLAY DEVICE, DIETHYNYLFLUORENE, AND POLYMER THEREOF PDCD2L, FMNL1, MACF1 ESR1 4587/4885ESR2 4527/4885ALDH1A1 2272/4885

“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.