SCHEMBL4968079

SCHEMBL4968079

CC(C)C(Br)C(=O)Nc1cccc(C(C)(C)C)c1O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.46
CA2 P00918 1/20 0.44
HTT P42858 1/20 0.41
GABRA1 P14867 1/20 0.40
GABRB2 P47870 1/20 0.40
MDM4 O15151 1/20 0.36
TP53 P04637 1/20 0.36
NPSR1 Q6W5P4 1/20 0.35
LPAR1 Q92633 1/20 0.35
ALOX12 P18054 1/20 0.35
CETP P11597 1/20 0.35
HPGD P15428 1/20 0.34
EPHX2 P34913 1/20 0.34
GAA P10253 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
RAB9A P51151 1/20 0.33
KMT2A Q03164 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
SCHEMBL4969948 0.82 CXCR2 (0.45) ALDH1A1HTTMDM4TP53MEN1
SCHEMBL4968629 0.81 GABRA1 (0.46) ALDH1A1HTTGABRA1GABRB2MDM4
SCHEMBL4968336 0.81 HTT (0.44) ALDH1A1HTTMDM4TP53CETP
SCHEMBL4971514 0.81 HTT (0.44) HTTMDM4TP53CETPHPGD
SCHEMBL10359119 0.79 ALDH1A1 (0.44) ALDH1A1HTTMDM4TP53GAA
SCHEMBL10358603 0.79 CA1 (0.47) CA2HTTGABRA1GABRB2MDM4
SCHEMBL4897496 0.79 CA1 (0.47) CA2HTTGABRA1GABRB2MDM4
SCHEMBL10359696 0.77 HTT (0.51) ALDH1A1HTTTP53LPAR1ALOX12
SCHEMBL4970182 0.75 HPGD (0.56) HTTMDM4TP53NPSR1CETP
SCHEMBL4969662 0.75 ALDH1A1 (0.47) ALDH1A1CA2HTTGABRA1GABRB2

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 5 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 disclosed
US-20070197512-A1 Carboxylic Acid Compounds and Use Thereof JAPAN TOBACCO INC. (JP) 2007-08-23 US disclosed
EP-0243018-B1 THIOLACTAM-N-ACETIC ACID DERIVATIVES, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1990-10-24 EP disclosed
US-4771050-A ALDOSE REDUCTASE INHIBITOR, ANTICOAGULANTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1988-09-13 US disclosed
EP-0243018-A1 Thiolactam-N-acetic acid derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1987-10-28 EP 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 ALDH1A1 142/4885CA2 363/4885HTT 772/4885

“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.