SCHEMBL3770752

SCHEMBL3770752

COC(=O)C(C)(C)Oc1ccc(Cl)c2[nH]c(=O)c(Cc3ccc(Cl)cc3)c(C)c12

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 1/20 0.35
ABCB11 O95342 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
TSHR P16473 1/20 0.35
HTR2A P28223 1/20 0.35
PMP22 Q01453 1/20 0.35
PPARA Q07869 1/20 0.35
THRB P10828 1/20 0.34
USP2 O75604 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
CNR1 P21554 1/20 0.34
TP53 P04637 1/20 0.33
P2RX3 P56373 6/20 0.33
BRD4 O60885 1/20 0.33
PPARG P37231 1/20 0.33
PIP4K2A P48426 1/20 0.33
NPC1 O15118 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
SCHEMBL3778704 0.82 LMNA (0.38) TSHRLMNAMAPTTP53P2RX3
SCHEMBL3777793 0.81 HPGD (0.39) MAPTP2RX3
SCHEMBL3345503 0.77 P2RX3 (0.42) LMNAMAPTNPSR1TP53P2RX3
SCHEMBL3779299 0.76 DAO (0.40) LMNAMAPT
SCHEMBL2570555 0.76 ALDH1A1 (0.35) TSHRLMNATP53P2RX3NPC1
SCHEMBL3772138 0.74 ALDH1A1 (0.41) TSHRLMNAMAPTNPSR1NPC1
SCHEMBL3782820 0.74 P2RX3 (0.36) OPRK1ABCB11CYP1A2CYP3A4TSHR
SCHEMBL3351461 0.73 ALDH1A1 (0.37) TSHRLMNAMAPTTP53P2RX3
SCHEMBL2576023 0.72 HPGD (0.35) TSHRMAPTNPSR1NPC1
SCHEMBL3772935 0.72 TSHR (0.41) TSHRLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1928457-B1 QUINOLINES AND THEIR THERAPEUTIC USE PULMAGEN THERAPEUTICS ASTHMA LTD (GB) 2012-12-12 EP disclosed
US-7858640-B2 Quinolines and their therapeutic use PULMAGEN THERAPEUTICS (ASTHMA) LIMITED (GB) 2010-12-28 US disclosed
US-20090156600-A1 Quinolines and Their Therapeutic Use GB005, INC. 2009-06-18 US disclosed
EP-1928457-A2 QUINOLINES AND THEIR THERAPEUTIC USE Argenta Discovery Limited (GB) 2008-06-11 EP disclosed
WO-2007036743-A2 QUINOLINES AND THEIR THERAPEUTIC USE ARGENTA DISCOVERY LIMITED (GB) 2007-04-05 WO 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-20090156600-A1 Quinolines and Their Therapeutic Use NR3C1, NR3C2, NR1H3 OPRK1 237/4885ABCB11 1958/4885CYP1A2 2189/4885

“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.