SCHEMBL1505079

SCHEMBL1505079

COCCOc1ccc(C(C)=O)cc1C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 10/20 0.52
AKR1C2 P52895 10/20 0.52
CREBBP Q92793 4/20 0.50
PTPN11 Q06124 1/20 0.49
HDAC1 Q13547 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
AKR1B10 O60218 1/20 0.46
AKR1B1 P15121 1/20 0.46
AKR1C4 P17516 1/20 0.46
AKR1C1 Q04828 1/20 0.46

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
SCHEMBL8901308 0.87 MAPK1 (0.49) PTPN11
SCHEMBL6196393 0.86 PTPN11 (0.57) AKR1C3AKR1C2CREBBPPTPN11HDAC1
SCHEMBL6200527 0.85 PTPN11 (0.63) AKR1C3AKR1C2CREBBPPTPN11HDAC1
SCHEMBL5050751 0.84 KMT2A (0.55) CREBBP
SCHEMBL7568390 0.84 PTPN11 (0.51) AKR1C3AKR1C2CREBBPPTPN11
SCHEMBL641868 0.83 CREBBP (0.64) AKR1C3AKR1C2CREBBPHDAC1HDAC8
SCHEMBL7566116 0.81 PTGDR2 (0.63) AKR1C3AKR1C2CREBBPAKR1B10AKR1B1
SCHEMBL13528549 0.81 AKR1C3 (0.51) AKR1C3AKR1C2CREBBPPTPN11AKR1B10
SCHEMBL1505121 0.81 KDM4E (0.52) PTPN11
SCHEMBL1505305 0.81 PTGDR2 (0.55) PTPN11

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
WO-2011027156-A1 BENZODIAZEPINE DERIVATIVES FOR TREATING HEPATITIS C INFECTION ARROW THERAPEUTICS LIMITED (GB) 2011-03-10 WO disclosed
US-20110059043-A1 CHEMICAL COMPOUNDS ARROW THERAPEUTICS LIMITED (GB) 2011-03-10 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-20110059043-A1 CHEMICAL COMPOUNDS CYP2E1, CNR1, CYP3A5 AKR1C3 97/4885AKR1C2 246/4885CREBBP 1817/4885

“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.