SCHEMBL3079436

SCHEMBL3079436

Cc1c(-c2ccccc2)c(=O)oc2ccc(F)cc12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ERAP1 Q9NZ08 1/20 0.58
▸ TNKS O95271 1/20 0.55
▸ CYP1A1 P04798 1/20 0.52
▸ CYP1A2 P05177 1/20 0.52
▸ CYP1B1 Q16678 1/20 0.52
▸ KDM4E B2RXH2 3/20 0.48
▸ ALDH1A1 P00352 2/20 0.48
▸ NPC1 O15118 1/20 0.48
▸ STAT1 P42224 1/20 0.48
▸ RAB9A P51151 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ GABRP O00591 5/20 0.47
▸ GABRD O14764 5/20 0.47
▸ GABRA1 P14867 5/20 0.47
▸ GABRB1 P18505 5/20 0.47
▸ GABRG2 P18507 5/20 0.47
▸ GABRB3 P28472 5/20 0.47
▸ GABRA5 P31644 5/20 0.47
▸ GABRA3 P34903 5/20 0.47
▸ GABRA2 P47869 5/20 0.47

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
SCHEMBL14307644 0.85 ERAP1 (0.61) ERAP1CYP1A1CYP1A2CYP1B1KDM4E
SCHEMBL5425943 0.82 ERAP1 (0.79) ERAP1CYP1A1CYP1A2CYP1B1KDM4E
SCHEMBL3091877 0.82 ERAP1 (0.58) ERAP1CYP1A1CYP1A2CYP1B1KDM4E
SCHEMBL4449250 0.81 ERAP1 (0.68) ERAP1TNKSCYP1A1CYP1A2CYP1B1
SCHEMBL8608 0.81 KDM4E (0.59) TNKSCYP1A2KDM4EALDH1A1NPC1
SCHEMBL7120381 0.80 ABCB1 (0.59) ERAP1CYP1A1CYP1A2CYP1B1KDM4E
SCHEMBL28532725 0.80 ERAP1 (0.56) ERAP1CYP1A1CYP1A2CYP1B1KDM4E
SCHEMBL29839920 0.78 TNKS (0.53) TNKSKDM4EALDH1A1NPC1RAB9A
SCHEMBL8118207 0.78 ERAP1 (0.72) ERAP1CYP1A1CYP1A2CYP1B1KDM4E
SCHEMBL3079215 0.78 ERAP1 (0.63) ERAP1CYP1A1CYP1A2CYP1B1KDM4E

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-20140155321-A1 Polypeptides and Their Use NOVABIOTICS LIMITED (GB) 2014-06-05 — — US disclosed
US-20100267653-A1 USE OF COUMARIN DERIVATIVES IN ANTIFUNGAL THERAPY NOVABIOTICS LIMITED (GB) 2010-10-21 — — 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-20100267653-A1 USE OF COUMARIN DERIVATIVES IN ANTIFUNGAL THERAPY DPM1, XPO5, NISCH ERAP1 1665/4885TNKS 4011/4885CYP1A1 315/4885

“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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