SCHEMBL20508338

SCHEMBL20508338

COc1ncc(-c2ccc(CCCC(=O)Nc3ccc(O)cc3)cc2)cn1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 4/20 0.56
ALDH1A1 P00352 2/20 0.55
MAPT P10636 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
MEN1 O00255 1/20 0.55
CYP3A4 P08684 1/20 0.55
TSHR P16473 1/20 0.55
MAPKAPK2 P49137 1/20 0.55
KMT2A Q03164 1/20 0.55
NPC1 O15118 3/20 0.46
RAB9A P51151 2/20 0.46
ROCK2 O75116 1/20 0.46
CNR1 P21554 3/20 0.45
CNR2 P34972 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
HDAC3 O15379 1/20 0.44
HDAC4 P56524 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC2 Q92769 1/20 0.44

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
SCHEMBL17986756 0.87 FTO (0.43) TRPV1ALDH1A1MAPTSMN1; SMN2MEN1
SCHEMBL20508332 0.82 TRPV1 (0.63) TRPV1ALDH1A1MAPTSMN1; SMN2MEN1
SCHEMBL17962933 0.81 ALDH1A1 (0.63) TRPV1ALDH1A1MAPTSMN1; SMN2MEN1
SCHEMBL31315988 0.81 ALDH1A1 (0.63) TRPV1ALDH1A1MAPTSMN1; SMN2MEN1
SCHEMBL17962931 0.78 TRPV1 (0.68) TRPV1ALDH1A1MAPTSMN1; SMN2MEN1
SCHEMBL20508315 0.77 TRPV1 (0.59) TRPV1ALDH1A1MAPTSMN1; SMN2MEN1
SCHEMBL20508356 0.77 TRPV1 (0.67) TRPV1ALDH1A1MAPTSMN1; SMN2MEN1
SCHEMBL4039020 0.75 FFAR4 (0.48) MAPTHDAC2
SCHEMBL20508340 0.73 TRPV1 (0.73) TRPV1ALDH1A1MAPTSMN1; SMN2MEN1
SCHEMBL21045398 0.73 TRPV1 (0.68) TRPV1ALDH1A1MAPTSMN1; SMN2MEN1

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
CN-119192065-A Anticancer compounds 悉尼大学 2024-12-27 CN disclosed
EP-3250551-B1 ANTI-CANCER COMPOUNDS UNIV SYDNEY (AU) 2022-11-09 EP disclosed
US-10745355-B2 Anti-cancer compounds THE UNIVERSITY OF SYDNEY (AU) 2020-08-18 US disclosed
US-10745355-B2 Anti-cancer compounds THE UNIVERSITY OF SYDNEY (AU) 2020-08-18 US disclosed
US-20180273478-A1 ANTI-CANCER COMPOUNDS THE UNIVERSITY OF SYDNEY (AU) 2018-09-27 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 (2 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-20180273478-A1 ANTI-CANCER COMPOUNDS MKI67, TP53, CDK5 TRPV1 4309/4885ALDH1A1 1509/4885MAPT 342/4885
US-10745355-B2 Anti-cancer compounds MKI67, TP53, CDK5 TRPV1 4309/4885ALDH1A1 1509/4885MAPT 342/4885

“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.