SCHEMBL7873750

SCHEMBL7873750

Cc1c(O)c(C)c2c(c1CO)OC(C)(C)CC2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.46
TSHR P16473 2/20 0.46
PTGS1 P23219 1/20 0.46
PTGS2 P35354 1/20 0.46
CYP1A2 P05177 1/20 0.46
CCR5 P51681 1/20 0.42
NR1I2 O75469 2/20 0.41
MAPT P10636 3/20 0.40
LMNA P02545 3/20 0.40
USP2 O75604 2/20 0.40
CYP2C9 P11712 2/20 0.40
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
GSTP1 P09211 1/20 0.40
TTPA P49638 1/20 0.40
THRB P10828 1/20 0.40
CYP2C19 P33261 1/20 0.40
ALOX5 P09917 5/20 0.39
CYP4F2 P78329 1/20 0.35
TP53 P04637 1/20 0.33

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
SCHEMBL7870263 0.88 CYP3A4 (0.46) CYP3A4TSHRPTGS1PTGS2CYP1A2
SCHEMBL7863378 0.87 PTGS1 (0.35) CYP3A4TSHRPTGS1PTGS2CYP1A2
SCHEMBL4482568 0.83 CYP3A4 (0.41) CYP3A4TSHRPTGS1PTGS2CYP1A2
SCHEMBL9027783 0.82 CYP3A4 (0.42) CYP3A4TSHRPTGS1PTGS2CYP1A2
Apc-100 SCHEMBL633424 0.82 CYP3A4 (0.64) CYP3A4TSHRPTGS1PTGS2CYP1A2
Apc-100 SCHEMBL29788307 0.82 CYP3A4 (0.64) CYP3A4TSHRPTGS1PTGS2CYP1A2
SCHEMBL6386430 0.81 CYP19A1 (0.44) CYP3A4TSHRPTGS1PTGS2CYP1A2
SCHEMBL5796245 0.81 MAPT (0.49) CYP3A4TSHRPTGS1PTGS2CYP1A2
SCHEMBL5769978 0.81 CYP3A4 (0.46) CYP3A4TSHRPTGS1PTGS2CYP1A2
SCHEMBL12512655 0.81 PTGS1 (0.41) CYP3A4TSHRPTGS1PTGS2CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100297262-A1 PHARMACEUTICALLY ACTIVE COMPOSITIONS COMPRISING OXIDATIVE STRESS MODULATORS (OSM), NEW CHEMICAL ENTITIES, COMPOSITIONS AND USES COLBY PHARMACEUTICAL COMPANY (US) 2010-11-25 US disclosed
US-20100297262-A1 PHARMACEUTICALLY ACTIVE COMPOSITIONS COMPRISING OXIDATIVE STRESS MODULATORS (OSM), NEW CHEMICAL ENTITIES, COMPOSITIONS AND USES COLBY PHARMACEUTICAL COMPANY (US) 2010-11-25 US disclosed
WO-2010121177-A2 PHARMACEUTICALLY ACTIVE COMPOSITIONS COMPRISING OXIDATIVE STRESS MODULATORS (OSM), NEW CHEMICAL ENTITIES, COMPOSITIONS AND USES COLBY PHARMACEUTICAL COMPANY (US) 2010-10-21 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-20100297262-A1 PHARMACEUTICALLY ACTIVE COMPOSITIONS COMPRISING OXIDATIVE STRESS MODULATORS (OSM), NEW CHEMICAL ENTITIES, COMPOSITIONS AND USES MPO, HMOX1, LPO CYP3A4 930/4885TSHR 4190/4885PTGS1 57/4885

“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.