Sugi Predict

Sugi Predict / Compounds / SCHEMBL3018264

SCHEMBL3018264

SCHEMBL3018264

COC(=O)c1ccc(CCC(/C=C/c2ccccc2O)Cc2ccc(C(=O)OC)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP4A11 Q02928 2/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ HPGD P15428 2/20 0.42
▸ ALOX12 P18054 2/20 0.42
▸ TP53 P04637 1/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ ALOX15 P16050 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ CKS1B P61024 1/20 0.42
▸ SKP2 Q13309 1/20 0.42
▸ HIF1A Q16665 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ CYP4F2 P78329 1/20 0.41
▸ CCR6 P51684 1/20 0.40
▸ HKDC1 Q2TB90 1/20 0.40
▸ MAPT P10636 2/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.40

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
SCHEMBL3018269 1.00 CYP4A11 (0.42) CYP4A11ALDH1A1HPGDALOX12TP53
SCHEMBL7008694 0.95 LNPEP (0.39) CYP4A11ALDH1A1HPGDALOX12TP53
SCHEMBL2161914 0.94 CYP4A11 (0.45) CYP4A11ALDH1A1HPGDALOX12TP53
SCHEMBL2161911 0.94 CYP4A11 (0.45) CYP4A11ALDH1A1HPGDALOX12TP53
SCHEMBL2292828 0.92 PRSS1 (0.40) CYP4A11ALDH1A1HPGDALOX12TP53
SCHEMBL2295663 0.92 PRSS1 (0.40) CYP4A11ALDH1A1HPGDALOX12TP53
SCHEMBL2295655 0.92 PRSS1 (0.40) CYP4A11ALDH1A1HPGDALOX12TP53
SCHEMBL2292822 0.92 PRSS1 (0.40) CYP4A11ALDH1A1HPGDALOX12TP53
SCHEMBL4551086 0.90 ERN1 (0.40) CYP4A11ALDH1A1HPGDALOX12TP53
SCHEMBL17703182 0.90 CYP4A11 (0.41) CYP4A11ALDH1A1HPGDALOX12TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8217063-B2 Lactam-substituted dicarboxylic acids and use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2012-07-10 — — US disclosed
US-8217063-B2 Lactam-substituted dicarboxylic acids and use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2012-07-10 — — US disclosed
US-8217063-B2 Lactam-substituted dicarboxylic acids and use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2012-07-10 — — US disclosed
EP-2142504-B1 LACTAM-SUBSTITUTED DICARBOXYLIC ACIDS AND USE THEREOF Bayer Pharma AG (DE) 2011-10-26 — — EP disclosed
US-20100197680-A1 LACTAM-SUBSTITUTED DICARBOXYLIC ACIDS AND USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2010-08-05 — — US disclosed
US-20100197680-A1 LACTAM-SUBSTITUTED DICARBOXYLIC ACIDS AND USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2010-08-05 — — US disclosed
US-20100197680-A1 LACTAM-SUBSTITUTED DICARBOXYLIC ACIDS AND USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2010-08-05 — — US disclosed
WO-2008119457-A2 LACTAM-SUBSTITUTED DICARBOXYLIC ACIDS AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-10-09 — — 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-20100197680-A1 LACTAM-SUBSTITUTED DICARBOXYLIC ACIDS AND USE THEREOF DDO, DDC, BCAT2 CYP4A11 2160/4885ALDH1A1 1142/4885HPGD 293/4885

“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.