SCHEMBL4969742

SCHEMBL4969742

Cc1cc(C)c2c(c1)N(C(=O)/C=C/C(=O)O)CCO2

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.35
ALDH1A1 P00352 6/20 0.35
THRB P10828 1/20 0.34
NOTUM Q6P988 2/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
HTT P42858 2/20 0.32
TSHR P16473 1/20 0.32
HTR6 P50406 1/20 0.32
POLB P06746 2/20 0.32
GAA P10253 1/20 0.32
HPGD P15428 1/20 0.32
KDM4E B2RXH2 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
MAPK1 P28482 1/20 0.32
TP53 P04637 1/20 0.32

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
SCHEMBL4969747 1.00 MAPT (0.35) MAPTALDH1A1THRBNOTUMMEN1
SCHEMBL4970676 0.85 ALDH1A1 (0.49) MAPTALDH1A1MEN1KMT2AHTT
SCHEMBL23729551 0.70 L3MBTL1 (0.37) MAPTALDH1A1THRBMEN1KMT2A
SCHEMBL4969919 0.70 NOTUM (0.61) MAPTTHRBNOTUMKMT2ATSHR
SCHEMBL4969115 0.70 NOTUM (0.61) MAPTTHRBNOTUMKMT2ATSHR
SCHEMBL4969128 0.70 NOTUM (0.61) MAPTTHRBNOTUMKMT2ATSHR
SCHEMBL7270099 0.65 KDM4E (0.40) MAPTALDH1A1MEN1KMT2AHTR6
SCHEMBL16225917 0.60 ALDH1A1 (0.52) MAPTALDH1A1THRBMEN1KMT2A
SCHEMBL16225916 0.60 ALDH1A1 (0.52) MAPTALDH1A1THRBMEN1KMT2A
SCHEMBL20902231 0.58 MAPT (0.56) MAPTALDH1A1HPGDKDM4EL3MBTL1

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 MAPT 387/4885ALDH1A1 142/4885THRB 3030/4885

“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.