SCHEMBL5151865

SCHEMBL5151865

CCOc1cc(-c2ccc(OCCO)cc2)n(-c2ccc(OC)cc2)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCL2 P10415 2/20 0.49
MDM2 Q00987 2/20 0.49
MCL1 Q07820 2/20 0.49
PTGS2 P35354 7/20 0.49
PTGS1 P23219 4/20 0.49
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA9 Q16790 1/20 0.48
RPA1 P27694 1/20 0.46
FABP3 P05413 1/20 0.46
FABP4 P15090 1/20 0.46
CHRNA7 P36544 1/20 0.46
ALOX5 P09917 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
TSHR P16473 1/20 0.45
CYP2C19 P33261 1/20 0.45
THPO P40225 1/20 0.45
BLM P54132 1/20 0.45

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
SCHEMBL14505148 0.91 PTGS2 (0.52) PTGS2PTGS1CA1CA2CA9
SCHEMBL5150539 0.91 PTGS2 (0.46) BCL2MDM2MCL1PTGS2PTGS1
SCHEMBL5148740 0.89 PTGS2 (0.48) PTGS2PTGS1CA1CA2CA9
SCHEMBL5148739 0.89 BCL2 (0.43) BCL2MDM2MCL1PTGS2PTGS1
Hydrochloric Acid SCHEMBL5147616 0.88 PTGS2 (0.47) BCL2MDM2MCL1PTGS2PTGS1
SCHEMBL5152475 0.88 PTGS2 (0.51) BCL2MDM2MCL1PTGS2PTGS1
SCHEMBL5148838 0.87 MDM2 (0.52) MDM2MCL1PTGS2PTGS1CA1
SCHEMBL5148641 0.86 PTGS2 (0.57) PTGS2PTGS1CA1CA2CA9
SCHEMBL5152040 0.86 PTGS2 (0.48) MDM2MCL1PTGS2PTGS1CA1
SCHEMBL5148614 0.86 PTGS2 (0.47) BCL2MDM2MCL1PTGS2PTGS1

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-20070112037-A1 Pyrazole Derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2007-05-17 US disclosed
US-7183306-B2 Pyrazole derivatives ASTELLAS PHARMA INC. (JP) 2007-02-27 US disclosed
EP-1567503-A1 PYRAZOLE DERIVATIVES USEFUL AS COX-I INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2005-08-31 EP disclosed
WO-2004050632-A1 PYRAZOLE DERIVATIVES USEFUL AS COX-I INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-06-17 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 (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-20070112037-A1 Pyrazole Derivatives CYP11B2, CYP11B1, CYP3A43 BCL2 2334/4885MDM2 1492/4885MCL1 1748/4885

“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.