SCHEMBL4972111

SCHEMBL4972111

CC(C)c1cccc2c1OC(c1ccccc1)C(=O)N2CC(=O)O

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.43
ACE P12821 7/20 0.39
MME P08473 4/20 0.39
ALDH1A1 P00352 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ALOX15 P16050 2/20 0.38
HSD17B10 Q99714 1/20 0.38
F10 P00742 2/20 0.38
F2 P00734 1/20 0.36
PRSS1 P07477 1/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35

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
SCHEMBL4970655 0.89 TSHR (0.40) KMT2AALDH1A1L3MBTL1NPC1RAB9A
SCHEMBL4969257 0.89 KMT2A (0.41) KMT2AACEMMEALOX15F10
SCHEMBL1201887 0.83 BRD4 (0.43) KMT2AACEMMEALDH1A1L3MBTL1
SCHEMBL4967405 0.82 ALOX15 (0.55) KMT2AACEMMEALDH1A1ALOX15
SCHEMBL4969045 0.82 F10 (0.41) KMT2AF10F2PRSS1
SCHEMBL1219564 0.75 KMT2A (0.33) KMT2AACEMMEALOX15HSD17B10
SCHEMBL4969187 0.75 KMT2A (0.33) KMT2AACEMMEALOX15HSD17B10
SCHEMBL29427697 0.75 KMT2A (0.33) KMT2AACEMMEALOX15HSD17B10
SCHEMBL4972064 0.75 KMT2A (0.33) KMT2AACEMMEALOX15HSD17B10
SCHEMBL4971237 0.73 TSHR (0.50) KMT2AALDH1A1ALOX15

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 KMT2A 1121/4885ACE 1511/4885MME 4158/4885

“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.