SCHEMBL9545003

SCHEMBL9545003

C=COc1ccc(F)cc1F

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSPB1 P04792 3/20 0.39
POLB P06746 2/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
ALDH1A1 P00352 2/20 0.38
TRPA1 O75762 4/20 0.38
MEN1 O00255 2/20 0.36
HPGD P15428 2/20 0.36
KMT2A Q03164 2/20 0.36
MAPT P10636 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
NFE2L2 Q16236 2/20 0.35
IDO1 P14902 1/20 0.35
AGXT P21549 1/20 0.35
CES2 O00748 1/20 0.34
CES1 P23141 1/20 0.34

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
SCHEMBL15759395 0.83 CA3 (0.38) ALDH1A1NFE2L2IDO1AGXTCES2
SCHEMBL264175 0.79 PKM (0.50) POLBMAPK1ALDH1A1MEN1KMT2A
SCHEMBL22525295 0.79 CYP3A4 (0.40) ALDH1A1MAPTL3MBTL1NFE2L2
SCHEMBL1547575 0.78 ALDH1A1 (0.40) HSPB1POLBALDH1A1TRPA1MEN1
SCHEMBL98914 0.78 ALDH1A1 (0.43) HSPB1POLBALDH1A1TRPA1MEN1
SCHEMBL24716965 0.78 NFE2L2 (0.49) POLBTSHRALDH1A1MEN1HPGD
SCHEMBL28150210 0.75 POLB (0.35) HSPB1POLBTSHRMAPK1ALDH1A1
SCHEMBL1547178 0.75 CES2 (0.43) HSPB1ALDH1A1TRPA1IDO1AGXT
SCHEMBL10456772 0.74 TRPA1 (0.56) HSPB1ALDH1A1TRPA1
SCHEMBL24468013 0.74 KEAP1 (0.49) TSHRMAPK1ALDH1A1MEN1HPGD

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8741291-B2 Multifunctional antibody conjugates COVX TECHNOLOGIES IRELAND, LIMITED (IE) 2014-06-03 US disclosed
US-8067590-B2 Melanin-concentrating hormone (MCH) receptor antagonists; treating obesity, eating disorders, affective disorders, drug dependency; compounds are amino-functional pyridazin-3-one, 1H-pyridin-2-one or 3H-pyrimidin-4-one BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-11-29 US disclosed
US-20080255083-A1 NEW PYRIDONE DERIVATES WITH MCH ANTAGONISTIC ACTIVITY AND MEDICAMENTS COMPRISING THESE COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-10-16 US disclosed
WO-1993016033-A1 CYCLOHEXENONE OXIME ETHERS, METHODS OF PREPARING THEM AND THEIR USE AS HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 1993-08-19 WO 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-20080255083-A1 NEW PYRIDONE DERIVATES WITH MCH ANTAGONISTIC ACTIVITY AND MEDICAMENTS COMPRISING THESE COMPOUNDS MCHR1, MCHR2, GPR119 HSPB1 4594/4885POLB 3825/4885TSHR 81/4885

“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.