SCHEMBL16710403

SCHEMBL16710403

COc1ccc(C)cc1-c1cccc(O)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FYN P06241 4/20 0.49
HDAC4 P56524 1/20 0.49
HDAC2 Q92769 1/20 0.49
HDAC8 Q9BY41 1/20 0.49
ACHE P22303 2/20 0.47
MAOA P21397 2/20 0.47
MAOB P27338 1/20 0.47
CTSA P10619 3/20 0.46
KDM1A O60341 1/20 0.44
PTGDR2 Q9Y5Y4 1/20 0.44
GRM5 P41594 1/20 0.44
BMPR1A P36894 1/20 0.43
TGFBR1 P36897 1/20 0.43
ACVRL1 P37023 1/20 0.43
ACVR1 Q04771 1/20 0.43
SYK P43405 1/20 0.43
HSD17B1 P14061 2/20 0.42
HSD17B2 P37059 2/20 0.42
CYP3A4 P08684 2/20 0.42
CYP2C9 P11712 1/20 0.42

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
SCHEMBL15906120 0.86 ACHE (0.52) HDAC4HDAC2HDAC8ACHECTSA
SCHEMBL30112758 0.84 CYP3A4 (0.52) FYNHDAC4HDAC2HDAC8MAOA
SCHEMBL30728871 0.81 ACHE (0.55) HDAC4HDAC2HDAC8ACHEMAOB
SCHEMBL7875685 0.81 ACHE (0.55) HDAC4HDAC2HDAC8ACHEMAOB
SCHEMBL14363397 0.81 MGAM (0.53) FYNACHEMAOBPTGDR2SYK
SCHEMBL1029074 0.81 HTR7 (0.55) FYNMAOAKDM1ACYP3A4CYP2C9
SCHEMBL1673262 0.80 PTGDR2 (0.58) ACHEMAOAMAOBCTSAPTGDR2
SCHEMBL9309017 0.80 MAOA (0.45) FYNACHEMAOAMAOBPTGDR2
SCHEMBL14003309 0.80 ALDH1A1 (0.50) FYNHDAC4HDAC2HDAC8ACHE
SCHEMBL3787052 0.80 PDE4B (0.52) FYNACHECTSAGRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10689344-B2 Biphenylamide derivative Hsp90 inhibitors UNIVERSITY OF KANSAS (US) 2020-06-23 US disclosed
US-20160289217-A1 COUMARIN BASED HSP90 INHIBITORS WITH UREA AND ETHER SUBSTITUENTS UNIVERSITY OF KANSAS (US) 2016-10-06 US disclosed
US-20160272584-A1 BIPHENYLAMIDE DERIVATIVE HSP90 INHIBITORS UNIVERSITY OF KANSAS (US) 2016-09-22 US disclosed
WO-2015070238-A2 COUMARIN BASED HSP90 INHIBITORS WITH UREA AND ETHER SUBSTITUENTS THE UNIVERSITY OF KANSAS (US) 2015-05-14 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 (3 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-20160289217-A1 COUMARIN BASED HSP90 INHIBITORS WITH UREA AND ETHER SUBSTITUENTS HSP90B1, HSP90AA1, HSP90AB1 FYN 3179/4885HDAC4 602/4885HDAC2 777/4885
US-10689344-B2 Biphenylamide derivative Hsp90 inhibitors HSP90AB1, HSP90AA1, HSP90AB2P FYN 3554/4885HDAC4 565/4885HDAC2 973/4885
US-20160272584-A1 BIPHENYLAMIDE DERIVATIVE HSP90 INHIBITORS HSP90AB1, HSP90AA1, HSP90AB2P FYN 3554/4885HDAC4 565/4885HDAC2 973/4885

“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.