SCHEMBL5659986

SCHEMBL5659986

OCc1nccc2[c]cccc12

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.40
ALDH1A1 P00352 1/20 0.40
PDE3B Q13370 1/20 0.39
PDE3A Q14432 1/20 0.39
KMT2A Q03164 1/20 0.36
KDM4E B2RXH2 3/20 0.35
LMNA P02545 2/20 0.35
TP53 P04637 1/20 0.35
MAPT P10636 1/20 0.35
TSHR P16473 1/20 0.35
ALOX12 P18054 1/20 0.35
NPC1 O15118 1/20 0.32
GAA P10253 1/20 0.32
HTT P42858 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
DYRK1A Q13627 1/20 0.31

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
SCHEMBL6164398 0.77 FLT1 (0.38)
SCHEMBL6166304 0.76 TSHR (0.44) L3MBTL1ALDH1A1LMNAMAPTTSHR
SCHEMBL5660661 0.76 HTT (0.32) ALDH1A1PDE3AKMT2AKDM4ELMNA
SCHEMBL20265011 0.74 ALDH1A1 (0.34) L3MBTL1ALDH1A1PDE3BPDE3AKMT2A
SCHEMBL6168574 0.73 GAA (0.39) ALDH1A1GAAHTT
SCHEMBL5658693 0.73 NOS3 (0.50) KDM4E
SCHEMBL1451844 0.72 CYP2A6 (0.48) L3MBTL1ALDH1A1PDE3BPDE3AKMT2A
SCHEMBL6968370 0.72 PSMD14 (0.35)
SCHEMBL5656885 0.72 LMNA (0.43) ALDH1A1KMT2AKDM4ELMNATP53
SCHEMBL6164720 0.71 ALDH1A1 (0.45) L3MBTL1ALDH1A1KMT2AKDM4ELMNA

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-7285563-B2 Heteroaromatic urea derivatives as VR-1 receptor modulators for treating pain MERCK SHARP & DOHME LTD. (GB) 2007-10-23 US disclosed
US-20050107388-A1 Heteroaromatic urea derivatives as vr-1receptor modulators for treating pain MERCK SHARP & DOHME LTD. (GB) 2005-05-19 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-20050107388-A1 Heteroaromatic urea derivatives as vr-1receptor modulators for treating pain ARRB1, OPRL1, CNR1 L3MBTL1 4408/4885ALDH1A1 1267/4885PDE3B 513/4885

“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.