SCHEMBL4970040

SCHEMBL4970040

Cc1cc(C)c2c(c1)N(CCC(=O)O)C(=O)C(C(C)C)O2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 1/20 0.41
BRD4 O60885 4/20 0.39
ALDH1A1 P00352 6/20 0.38
PKM P14618 1/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2C19 P33261 2/20 0.36
THRB P10828 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
MME P08473 1/20 0.34
ACE P12821 1/20 0.34
MAPK1 P28482 1/20 0.34
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
KDM4E B2RXH2 2/20 0.33
HSD17B10 Q99714 2/20 0.33
HPGD P15428 1/20 0.33
POLB P06746 1/20 0.33
L3MBTL1 Q9Y468 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
SCHEMBL4978852 1.00 KDM4C (0.41) KDM4CBRD4ALDH1A1PKMCYP3A4
SCHEMBL4971222 1.00 KDM4C (0.41) KDM4CBRD4ALDH1A1PKMCYP3A4
SCHEMBL4969406 0.90 ALDH1A1 (0.36) KDM4CBRD4ALDH1A1PKMCYP3A4
SCHEMBL4969399 0.90 ALDH1A1 (0.36) KDM4CBRD4ALDH1A1PKMCYP3A4
SCHEMBL4968985 0.88 BRD4 (0.38) KDM4CBRD4ALDH1A1PKMCYP3A4
SCHEMBL4969943 0.88 KMO (0.39) KDM4CBRD4ALDH1A1PKMMEN1
SCHEMBL4971074 0.88 BRD4 (0.38) KDM4CBRD4ALDH1A1PKMCYP3A4
SCHEMBL4967547 0.88 KMO (0.39) KDM4CBRD4ALDH1A1PKMMEN1
SCHEMBL4968149 0.88 BRD4 (0.38) KDM4CBRD4ALDH1A1PKMCYP3A4
SCHEMBL4969453 0.88 KMO (0.39) KDM4CBRD4ALDH1A1PKMMEN1

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 2123/4885BRD4 3303/4885ALDH1A1 142/4885

“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.