SCHEMBL1374017

SCHEMBL1374017

BrCc1ccc(-c2ccc(-c3ccccc3)cc2)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.68
TSHR P16473 2/20 0.68
TRPA1 O75762 1/20 0.68
TAAR1 Q96RJ0 3/20 0.56
CES2 O00748 1/20 0.52
CES1 P23141 1/20 0.52
IDO1 P14902 2/20 0.50
AGXT P21549 2/20 0.50
MAPK1 P28482 1/20 0.50
ABCC4 O15439 1/20 0.50
LMNA P02545 1/20 0.50
GAA P10253 1/20 0.50
PTGS1 P23219 1/20 0.50
HTT P42858 1/20 0.50
PTPN1 P18031 1/20 0.46
GSK3B P49841 1/20 0.46
FFAR1 O14842 1/20 0.46
TDP1 Q9NUW8 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43

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
SCHEMBL28096322 1.00 ALDH1A1 (0.68) ALDH1A1TSHRTRPA1TAAR1CES2
Biphenyl SCHEMBL27732862 1.00 ALDH1A1 (0.68) ALDH1A1TSHRTRPA1TAAR1CES2
SCHEMBL71123 1.00 ALDH1A1 (0.68) ALDH1A1TSHRTRPA1TAAR1CES2
Hydrochloric Acid SCHEMBL28118078 0.97 ALDH1A1 (0.65) ALDH1A1TSHRTRPA1TAAR1CES2
SCHEMBL5498364 0.95 ALDH1A1 (0.62) ALDH1A1TSHRTRPA1TAAR1CES2
Biphenyl SCHEMBL7524026 0.92 TSHR (0.82) ALDH1A1TSHRTRPA1TAAR1CES2
SCHEMBL679626 0.88 TSHR (0.56) ALDH1A1TSHRTRPA1TAAR1CES2
SCHEMBL9609757 0.88 TSHR (0.56) ALDH1A1TSHRTRPA1TAAR1CES2
SCHEMBL9023806 0.87 ALDH1A1 (0.59) ALDH1A1TSHRTRPA1TAAR1CES2
Acetic Acid SCHEMBL28491683 0.87 CES2 (0.57) ALDH1A1TSHRTRPA1TAAR1CES2

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-3653575-A1 SURFACE-MODIFIED INORGANIC NITRIDE, COMPOSITION, THERMALLY CONDUCTIVE MATERIAL, DEVICE PROVIDED WITH THERMALLY CONDUCTIVE LAYER FUJIFILM Corporation (JP) 2020-05-20 EP disclosed
US-20110287549-A1 TIME TEMPERATURE INDICATOR BASED ON THIOALKYL AND THIOARYL SUBSTITUTED SPIROAROMATICS FRESHPOINT HOLDINGS SA (CH) 2011-11-24 US disclosed
US-20110287549-A1 TIME TEMPERATURE INDICATOR BASED ON THIOALKYL AND THIOARYL SUBSTITUTED SPIROAROMATICS FRESHPOINT HOLDINGS SA (CH) 2011-11-24 US disclosed
US-20110287549-A1 TIME TEMPERATURE INDICATOR BASED ON THIOALKYL AND THIOARYL SUBSTITUTED SPIROAROMATICS FRESHPOINT HOLDINGS SA (CH) 2011-11-24 US disclosed
WO-2010092030-A1 TIME-TEMPERATURE INDICATOR BASED ON THIOALKYL AND THIOARYL SUBSTITUTED SPIROAROMATICS FRESHPOINT HOLDINGS SA (CH) 2010-08-19 WO disclosed
US-4342756-A AS ANTITHROMBOTIC AGENTS AND ANTIASTHMATIC AGENTS GLAXO GROUP LIMITED (GB) 1982-08-03 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-20110287549-A1 TIME TEMPERATURE INDICATOR BASED ON THIOALKYL AND THIOARYL SUBSTITUTED SPIROAROMATICS TPI1, TTI1, TST ALDH1A1 585/4885TSHR 1420/4885TRPA1 25/4885

“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.