SCHEMBL4971237

SCHEMBL4971237

CC(C)c1cccc2c1OCC(=O)N2CC(=O)O

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.50
HTT P42858 1/20 0.50
ALOX12 P18054 1/20 0.49
ALDH1A1 P00352 3/20 0.47
THRB P10828 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
CBX7 O95931 2/20 0.40
CDYL2 Q8N8U2 2/20 0.40
CDYL Q9Y232 2/20 0.40
CDY1; CDY1B Q9Y6F8 2/20 0.40
HTR6 P50406 1/20 0.40
USP2 O75604 1/20 0.40
KMO O15229 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
ALOX15 P16050 1/20 0.39
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.39

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
SCHEMBL4973366 0.88 KMO (0.49) TSHRHTTALOX12ALDH1A1MEN1
SCHEMBL4970803 0.86 ALOX12 (0.47) TSHRHTTALOX12ALDH1A1THRB
SCHEMBL4970312 0.86 MEN1 (0.37) TSHRHTTALOX12ALDH1A1MEN1
SCHEMBL4969582 0.83 ALOX12 (0.42) TSHRHTTALOX12ALDH1A1MEN1
SCHEMBL4969042 0.80 HSD17B10 (0.46) TSHRALOX12ALDH1A1MEN1KMT2A
SCHEMBL4101938 0.79 DRD2 (0.41) ALOX12HTR6POLB
SCHEMBL4969816 0.76 ELANE (0.38) ALDH1A1MEN1KMT2AUSP2LMNA
SCHEMBL5260069 0.76 TSHR (0.46) TSHRHTTALOX12ALDH1A1MEN1
SCHEMBL27428474 0.75 HTR1A (0.43) TSHRALOX12ALDH1A1HTR6CYP2C9
SCHEMBL1201887 0.75 BRD4 (0.43) TSHRALDH1A1MEN1KMT2AALOX15

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 TSHR 4003/4885HTT 772/4885ALOX12 530/4885

“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.