SCHEMBL4972068

SCHEMBL4972068

Cc1ccc2c(c1)OC(C(C)C)C(=O)N2CCC(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 1/20 0.45
ALDH1A1 P00352 5/20 0.42
CYP3A4 P08684 3/20 0.42
CYP2C19 P33261 3/20 0.42
THRB P10828 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
MME P08473 2/20 0.40
ACE P12821 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CYP1A2 P05177 1/20 0.38
KDM4E B2RXH2 1/20 0.38
POLB P06746 1/20 0.38
HSD17B10 Q99714 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
TSHR P16473 1/20 0.37
HTT P42858 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
CREBBP Q92793 1/20 0.36

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
SCHEMBL4968541 0.91 KDM4C (0.54) KDM4CALDH1A1CYP3A4CYP2C19THRB
SCHEMBL4970329 0.87 KDM4C (0.45) KDM4CALDH1A1CYP3A4CYP2C19THRB
SCHEMBL4969926 0.87 KMO (0.47) ALDH1A1MEN1KMT2AMMEACE
SCHEMBL4972633 0.85 MME (0.53) ALDH1A1MEN1KMT2AMMEACE
SCHEMBL4970040 0.81 KDM4C (0.41) KDM4CALDH1A1CYP3A4CYP2C19THRB
SCHEMBL4971222 0.81 KDM4C (0.41) KDM4CALDH1A1CYP3A4CYP2C19THRB
SCHEMBL4978852 0.81 KDM4C (0.41) KDM4CALDH1A1CYP3A4CYP2C19THRB
SCHEMBL4968226 0.80 KMO (0.56) KDM4CALDH1A1CYP3A4CYP2C19THRB
SCHEMBL4970643 0.80 RXFP1 (0.48) ALDH1A1CYP3A4CYP2C19THRBMEN1
SCHEMBL4968334 0.78 KDM4C (0.54) KDM4CALDH1A1CYP3A4CYP2C19THRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1985297-A1 CARBOXYLIC ACID COMPOUND AND USE THEREOF Japan Tobacco, Inc. (JP) 2008-10-29 EP claimed
US-20070197512-A1 Carboxylic Acid Compounds and Use Thereof JAPAN TOBACCO INC. (JP) 2007-08-23 US claimed
EP-1985297-A1 CARBOXYLIC ACID COMPOUND AND USE THEREOF Japan Tobacco, Inc. (JP) 2008-10-29 EP disclosed
US-20070197512-A1 Carboxylic Acid Compounds and Use Thereof JAPAN TOBACCO INC. (JP) 2007-08-23 US disclosed
US-20070197512-A1 Carboxylic Acid Compounds and Use Thereof JAPAN TOBACCO INC. (JP) 2007-08-23 US disclosed
US-20070197512-A1 Carboxylic Acid Compounds and Use Thereof JAPAN TOBACCO INC. (JP) 2007-08-23 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-20070197512-A1 Carboxylic Acid Compounds and Use Thereof GLS, SLC10A1, SOAT1 KDM4C 2123/4885ALDH1A1 142/4885CYP3A4 3089/4885

“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.