SCHEMBL18328899

SCHEMBL18328899

Cc1ccc(-c2cc3cc4c(cc3s2)sc2c3cc5cc(-c6ccc(C(F)(F)F)cc6)sc5cc3sc42)cc1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 4/20 0.46
▸ ESR2 Q92731 4/20 0.46
▸ HDAC6 Q9UBN7 1/20 0.36
▸ NPBWR1 P48145 1/20 0.36
▸ JAK2 O60674 1/20 0.35
▸ KCNH2 Q12809 4/20 0.34
▸ STK17B O94768 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ ENPP1 P22413 1/20 0.33
▸ KIF11 P52732 1/20 0.33
▸ NFE2L2 Q16236 1/20 0.32

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
SCHEMBL18333448 0.93 HDAC6 (0.40) ESR1ESR2HDAC6KCNH2STK17B
SCHEMBL18328901 0.91 ESR1 (0.47) ESR1ESR2HDAC6NPBWR1JAK2
SCHEMBL18333450 0.83 HDAC6 (0.40) ESR1ESR2HDAC6KCNH2KIF11
SCHEMBL22024132 0.80 ESR1 (0.50) ESR1ESR2HDAC6
SCHEMBL20111041 0.78 ATM (0.37) ESR1ESR2NPBWR1KIF11NFE2L2
SCHEMBL23555696 0.78 KIF11 (0.45) ESR1ESR2HDAC6KIF11
SCHEMBL12055731 0.77 KIF11 (0.39) ESR1NPBWR1KIF11
SCHEMBL22024129 0.75 ESR1 (0.50) ESR1ESR2HDAC6
SCHEMBL3621380 0.74 ESR1 (0.68) ESR1ESR2HDAC6
SCHEMBL20911081 0.74 CDC7 (0.39) ESR1ESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160372686-A1 ORGANIC COMPOUND AND ORGANIC THIN FILM AND ELECTRONIC DEVICE SAMSUNG ELECTRONICS CO., LTD. (KR) 2016-12-22 — — 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-20160372686-A1 ORGANIC COMPOUND AND ORGANIC THIN FILM AND ELECTRONIC DEVICE OCIAD1, POU2F1, SLCO2A1 ESR1 78/4885ESR2 437/4885HDAC6 4760/4885

“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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