SCHEMBL5148690

SCHEMBL5148690

COc1ccc(-n2nc(OC)cc2-c2ccc(OCCO)cc2)cn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FABP3 P05413 1/20 0.41
FABP4 P15090 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
PTGS2 P35354 4/20 0.41
PTGS1 P23219 3/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
MDM2 Q00987 3/20 0.39
MCL1 Q07820 3/20 0.39
BCL2 P10415 2/20 0.39
RPA1 P27694 2/20 0.39
MCHR1 Q99705 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
TSHR P16473 1/20 0.37
CYP2C19 P33261 1/20 0.37
THPO P40225 1/20 0.37

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
SCHEMBL5148739 0.93 BCL2 (0.43) FABP3FABP4CA1CA2CA9
SCHEMBL5148732 0.91 MDM2 (0.40) FABP3FABP4CA1CA2CA9
SCHEMBL5147689 0.90 RPA1 (0.40) FABP3FABP4CA1CA2CA9
SCHEMBL5148582 0.90 PTGS2 (0.45) FABP3FABP4PTGS2PTGS1MCHR1
SCHEMBL5152224 0.90 PTGS2 (0.38) FABP3FABP4CA1CA2CA9
SCHEMBL14505148 0.89 PTGS2 (0.52) FABP3FABP4CA1CA2CA9
Hydrochloric Acid SCHEMBL5148854 0.88 PTGS2 (0.39) FABP3FABP4CA1CA2CA9
SCHEMBL14504418 0.88 PTGS2 (0.40) FABP3FABP4CA1CA2CA9
SCHEMBL14504846 0.87 PTGS2 (0.51) FABP3FABP4CA1CA2CA9
SCHEMBL14504960 0.87 PTGS2 (0.61) PTGS2PTGS1CYP1A2CYP3A4CYP2C9

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-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

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 FABP3 3873/4885FABP4 3914/4885CA1 4388/4885

“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.