SCHEMBL4969040

SCHEMBL4969040

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.44
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
LMNA P02545 2/20 0.44
FAAH O00519 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
GABRA1 P14867 1/20 0.44
HPGD P15428 1/20 0.44
GABRB1 P18505 1/20 0.44
GABRG2 P18507 1/20 0.44
PTGS1 P23219 1/20 0.44
SLC6A2 P23975 1/20 0.44
HTR2C P28335 1/20 0.44
GABRB3 P28472 1/20 0.44
GABRA5 P31644 1/20 0.44
GABRA3 P34903 1/20 0.44
HTR2B P41595 1/20 0.44
GABRA2 P47869 1/20 0.44
GABRB2 P47870 1/20 0.44

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
SCHEMBL5441135 0.86 KDM4E (0.43) TSHRCA1CA2LMNAFAAH
SCHEMBL10358603 0.82 CA1 (0.47) TSHRCA1CA2LMNAFAAH
SCHEMBL4897496 0.82 CA1 (0.47) TSHRCA1CA2LMNAFAAH
SCHEMBL4970400 0.78 LMNA (0.48) TSHRCA1CA2LMNAFAAH
SCHEMBL4969113 0.75 LMNA (0.48) TSHRCA1CA2LMNAFAAH
SCHEMBL7482485 0.74 PGR (0.57) TSHRLMNAHPGDKMT2AALDH1A1
SCHEMBL4971219 0.73 KCNQ2 (0.44) TSHRCA1CA2LMNAFAAH
SCHEMBL10915384 0.71 KDM4E (0.51) TSHRLMNAHPGDKMT2AALDH1A1
SCHEMBL5802901 0.70 MAOA (0.62) CYP1A2KMT2AALDH1A1L3MBTL1KCNQ2
SCHEMBL4968629 0.70 GABRA1 (0.46) TSHRCYP1A2CYP3A4GABRA1GABRB2

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 2 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

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 4003/4885CA1 390/4885CA2 363/4885

“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.