SCHEMBL4478657

SCHEMBL4478657

CCCCCCCCC(C)F

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.50
MAPT P10636 1/20 0.50
TSHR P16473 1/20 0.47
THRB P10828 1/20 0.47
SPHK1 Q9NYA1 1/20 0.46
LMNA P02545 1/20 0.46
DNM1 Q05193 2/20 0.46
ADH1B P00325 1/20 0.43
ADH1C P00326 1/20 0.43
ADH1A P07327 1/20 0.43
ADH4 P08319 1/20 0.43
ADH7 P40394 1/20 0.43
ACE2 Q9BYF1 1/20 0.41
GPR84 Q9NQS5 3/20 0.41
FDPS P14324 3/20 0.41
FFAR1 O14842 1/20 0.41

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
SCHEMBL22268678 1.00 OPRM1 (0.50) OPRM1MAPTTSHRTHRBSPHK1
SCHEMBL11673597 1.00 OPRM1 (0.50) OPRM1MAPTTSHRTHRBSPHK1
SCHEMBL13127438 1.00 OPRM1 (0.50) OPRM1MAPTTSHRTHRBSPHK1
SCHEMBL24761097 1.00 OPRM1 (0.50) OPRM1MAPTTSHRTHRBSPHK1
SCHEMBL14140683 1.00 OPRM1 (0.50) OPRM1MAPTTSHRTHRBSPHK1
SCHEMBL24761602 1.00 OPRM1 (0.50) OPRM1MAPTTSHRTHRBSPHK1
SCHEMBL1896842 1.00
SCHEMBL10041127 1.00 OPRM1 (0.50) OPRM1MAPTTSHRTHRBSPHK1
SCHEMBL1898218 0.97
Dimethylamine SCHEMBL9838363 0.92 MAPT (0.45) OPRM1MAPTTSHRTHRBSPHK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021108483-A1 THERAPEUTIC COMPOUNDS GENENTECH, INC. (US) 2021-06-03 WO disclosed
US-20190015211-A1 HYDROGEL ARTHROPLASTY DEVICE THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2019-01-17 US disclosed
US-8981625-B2 Organic piezoelectric material, ultrasound probe, and ultrasound image detector KONICA MINOLTA MEDICAL & GRAPHICS, INC. (JP) 2015-03-17 US disclosed
US-20120041314-A1 ORGANIC PIEZOELECTRIC MATERIAL, ULTRASOUND PROBE, AND ULTRASOUND IMAGE DETECTOR KONICA MINOLTA MEDICAL & GRAPHICS, INC. (JP) 2012-02-16 US disclosed
US-20090234151-A1 Preparation of Mono-/Difluorinated Hydrocarbon Compounds RHODIA CHIMIE (FR) 2009-09-17 US disclosed
US-20090234151-A1 Preparation of Mono-/Difluorinated Hydrocarbon Compounds RHODIA CHIMIE (FR) 2009-09-17 US disclosed
US-20090234151-A1 Preparation of Mono-/Difluorinated Hydrocarbon Compounds RHODIA CHIMIE (FR) 2009-09-17 US disclosed
EP-1904425-A1 METHOD FOR PREPARING MONO- OR DIFLUORINATED HYDROCARBON COMPOUNDS Rhodia Chimie SA (FR) 2008-04-02 EP disclosed
WO-2007010111-A1 METHOD FOR PREPARING MONO- OR DIFLUORINATED HYDROCARBON COMPOUNDS RHODIA CHIMIE (FR) 2007-01-25 WO disclosed
US-4046819-A Alkylation of alkyl, cycloalkyl and aralkyl halides UOP INC. (US) 1977-09-06 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-20090234151-A1 Preparation of Mono-/Difluorinated Hydrocarbon Compounds AHR, CYP2E1, CYP2F1 OPRM1 316/4885MAPT 3285/4885TSHR 647/4885

“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.