SCHEMBL804931

SCHEMBL804931

OBOc1cccc(CBr)c1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 2/20 0.39
CYP4A11 Q02928 2/20 0.39
TSHR P16473 3/20 0.38
TRPA1 O75762 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MEP1B Q16820 1/20 0.37
BCHE P06276 1/20 0.35
CETP P11597 1/20 0.35
HSD17B10 Q99714 1/20 0.35
TAAR1 Q96RJ0 3/20 0.34
IDO1 P14902 2/20 0.34
AGXT P21549 2/20 0.34
MAOB P27338 2/20 0.34
MAPK1 P28482 1/20 0.34
CALM1 P0DP23 1/20 0.33
CAMKK2 Q96RR4 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
SCHEMBL6352353 0.84 TSHR (0.41) CYP4F2CYP4A11TSHRTRPA1ALDH1A1
SCHEMBL15762165 0.82 TSHR (0.45) CYP4F2CYP4A11TSHRTAAR1IDO1
SCHEMBL17428958 0.81 MAPK1 (0.44) CYP4F2CYP4A11TSHRALDH1A1MAPK1
SCHEMBL25485110 0.78 IDO1 (0.47) CYP4F2CYP4A11TAAR1IDO1AGXT
SCHEMBL16141145 0.75 TRPA1 (0.39) TSHRTRPA1ALDH1A1
SCHEMBL17743 0.74 TAAR1 (0.60) TAAR1IDO1AGXTMAOBCALM1
SCHEMBL13672772 0.74 MAOB (0.46) CYP4F2CYP4A11TSHRTRPA1ALDH1A1
SCHEMBL15342415 0.74 MAOB (0.46) TSHRALDH1A1HSD17B10MAOBMAPK1
SCHEMBL29351751 0.74 TAAR1 (0.60) TAAR1IDO1AGXTMAOBCALM1
SCHEMBL4184944 0.73 TSHR (0.38) CYP4F2CYP4A11TSHRTRPA1ALDH1A1

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
US-20240019396-A1 NON-ENZYMATIC ELECTROCHEMICAL SENSOR FOR MEASURING ANALYTES TERUMO KABUSHIKI KAISHA (JP) 2024-01-18 US disclosed
US-20170219521-A1 NON-ENZYMATIC ELECTROCHEMICAL SENSOR FOR MEASURING ANALYTES TERUMO KABUSHIKI KAISHA (JP) 2017-08-03 US disclosed
US-8748632-B2 Positive allosteric modulators of group II mGluRs SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2014-06-10 US disclosed
US-20130121925-A1 OPTICAL DETERMINATION OF GLUCOSE UTILIZING BORONIC ACID ADDUCTS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2013-05-16 US disclosed
US-20120071503-A1 POSITIVE ALLOSTERIC MODULATORS OF GROUP II MGLURS SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2012-03-22 US disclosed
US-20120009126-A1 OPTICAL DETERMINATION OF GLUCOSE UTILIZING BORONIC ACID ADDUCTS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2012-01-12 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 (5 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-20240019396-A1 NON-ENZYMATIC ELECTROCHEMICAL SENSOR FOR MEASURING ANALYTES SPR, SRR, BLVRB CYP4F2 1125/4885CYP4A11 957/4885TSHR 67/4885
US-20130121925-A1 OPTICAL DETERMINATION OF GLUCOSE UTILIZING BORONIC ACID ADDUCTS NISCH, FOSB, BLVRB CYP4F2 857/4885CYP4A11 1589/4885TSHR 3235/4885
US-20120071503-A1 POSITIVE ALLOSTERIC MODULATORS OF GROUP II MGLURS GRM2, GRM1, GRIN2C CYP4F2 3587/4885CYP4A11 4166/4885TSHR 535/4885
US-20170219521-A1 NON-ENZYMATIC ELECTROCHEMICAL SENSOR FOR MEASURING ANALYTES SPR, BLVRB, XDH CYP4F2 734/4885CYP4A11 956/4885TSHR 127/4885
US-20120009126-A1 OPTICAL DETERMINATION OF GLUCOSE UTILIZING BORONIC ACID ADDUCTS NISCH, FOSB, BLVRB CYP4F2 857/4885CYP4A11 1589/4885TSHR 3235/4885

“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.