SCHEMBL2688032

SCHEMBL2688032

C=C(COc1ccccc1C(=O)O)c1ccccc1Cl

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.58
HTT P42858 2/20 0.58
ALDH1A1 P00352 6/20 0.53
TP53 P04637 1/20 0.52
KMT2A Q03164 2/20 0.51
PTK2B Q14289 1/20 0.51
TRPM4 Q8TD43 2/20 0.46
PTGDR2 Q9Y5Y4 1/20 0.44
RAB9A P51151 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
MEN1 O00255 1/20 0.43
NPC1 O15118 1/20 0.43
POLB P06746 1/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 3/20 0.42
TSHR P16473 2/20 0.42
HSD17B10 Q99714 2/20 0.42
ESR1 P03372 1/20 0.42
ITGB3 P05106 1/20 0.42
ITGA2B P08514 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
SCHEMBL9645622 0.81 KDM4E (0.65) KDM4EHTTALDH1A1TP53KMT2A
SCHEMBL3316012 0.78 KDM4E (0.65) KDM4EHTTALDH1A1KMT2APTK2B
SCHEMBL16966571 0.78 KDM4E (0.65) KDM4EHTTALDH1A1KMT2APTK2B
SCHEMBL29502958 0.77 KDM4E (0.73) KDM4EHTTALDH1A1KMT2APTK2B
SCHEMBL341639 0.77 KDM4E (0.73) KDM4EHTTALDH1A1KMT2APTK2B
SCHEMBL3314748 0.76 KDM4E (0.63) KDM4EHTTALDH1A1KMT2APTK2B
SCHEMBL5839846 0.75 HTT (0.63) KDM4EHTTALDH1A1TP53KMT2A
SCHEMBL1388155 0.75 HTT (0.77) KDM4EHTTALDH1A1TP53KMT2A
SCHEMBL9252328 0.75 CES2 (0.45) HTTALDH1A1TP53KMT2ARAB9A
SCHEMBL6917480 0.74 ALDH1A1 (0.95) KDM4EHTTALDH1A1TP53KMT2A

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-8633312-B2 Dibenzocycloheptatone derivatives and pharmaceutical agents containing said compounds C-A-I-R BIOSCIENCES GMBH (DE) 2014-01-21 US disclosed
US-20120115862-A1 DIBENZOCYCLOHEPTATONE DERIVATIVES AND PHARMACEUTICAL AGENTS CONTAINING SAID COMPOUNDS C-A-I-R BIOSCIENCES GMBH (DE) 2012-05-10 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-20120115862-A1 DIBENZOCYCLOHEPTATONE DERIVATIVES AND PHARMACEUTICAL AGENTS CONTAINING SAID COMPOUNDS IL1B, NFKBIA, IL1R1 KDM4E 1736/4885HTT 1165/4885ALDH1A1 464/4885

“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.