SCHEMBL9655266

SCHEMBL9655266

CC1(c2ccccc2)CC1(F)F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 7/20 0.45
MAOA P21397 4/20 0.45
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
GAA P10253 1/20 0.41
PAX8 Q06710 1/20 0.41
MCL1 Q07820 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
OPRM1 P35372 1/20 0.39
OPRK1 P41145 1/20 0.39
OPRL1 P41146 1/20 0.39
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
CYP2D6 P10635 1/20 0.36
HTR2A P28223 2/20 0.36
HTR2C P28335 2/20 0.36
HTR2B P41595 2/20 0.36
ICMT O60725 1/20 0.36
MMP2 P08253 1/20 0.35
MMP9 P14780 1/20 0.35

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
SCHEMBL11064099 0.81 ALDH1A1 (0.46) MAOBMAOAALDH1A1LMNAGAA
SCHEMBL11064104 0.81 ALDH1A1 (0.46) MAOBMAOAALDH1A1LMNAGAA
SCHEMBL13518222 0.76 MAOA (0.47) MAOBMAOAALDH1A1LMNAOPRM1
SCHEMBL9653163 0.76 CYP19A1 (0.40) MAOBMAOAALDH1A1LMNAL3MBTL1
SCHEMBL30312220 0.76 OPRM1 (0.50) MAOBMAOAALDH1A1LMNAGAA
SCHEMBL1641588 0.75 RAB9A (0.45) MAOBMAOAALDH1A1LMNAGAA
SCHEMBL2354190 0.75 LMNA (0.41) MAOBMAOAALDH1A1LMNAGAA
SCHEMBL15778080 0.75 MAOA (0.45) MAOBMAOAALDH1A1LMNAGAA
SCHEMBL31172182 0.74 SLC6A4 (0.46)
SCHEMBL13562892 0.74 MAOB (0.48) MAOBMAOAOPRM1OPRK1OPRL1

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
US-9676795-B2 Process to obtain a trifluoromethylating composition FUNDACIO INSTITUT CATALA D'INVESTIGACIO QUIMICA (ES) 2017-06-13 US disclosed
EP-2678302-B1 PROCESS TO OBTAIN A TRIFLUOROMETHYLATING COMPOSITION FUNDACIÓ INST CATALÀ D INVESTIGACIÓ QUÍMICA (ES) 2016-08-17 EP disclosed
US-20140235866-A1 Process to Obtain a Trifluoromethylating Composition FUNDACIO PRIVADA INSTITUT CATALA D'INVESTIGACIO QUIMICA (ES) 2014-08-21 US disclosed
US-8729320-B2 Method for producing difluorocyclopropane compound CENTRAL GLASS COMPANY, LIMITED (JP) 2014-05-20 US disclosed
EP-2678302-A1 PROCESS TO OBTAIN A TRIFLUOROMETHYLATING COMPOSITION Fundació Institut Català d'Investigació Química (ES) 2014-01-01 EP disclosed
US-20120277458-A1 METHOD FOR PRODUCING DIFLUOROCYCLOPROPANE COMPOUND CENTRAL GLASS COMPANY, LIMITED (JP) 2012-11-01 US disclosed
WO-2012113726-A1 PROCESS TO OBTAIN A TRIFLUOROMETHYLATING COMPOSITION FUNDACIÓ PRIVADA INSTITUT CATALÀ D'INVESTIGACIÓ QUÍMICA (ICIQ) (ES) 2012-08-30 WO disclosed
EP-0253175-B1 SUBSTITUTED FURAZANS BAYER AG (DE) 1992-12-30 EP disclosed
US-4853397-A MITICIDES BAYER AKTIENGESELLSCHAFT (DE) 1989-08-01 US disclosed
EP-0253175-A2 Substituted furazans BAYER AG (DE) 1988-01-20 EP 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 (2 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-20140235866-A1 Process to Obtain a Trifluoromethylating Composition FLI1, FIP1L1, AFF1 MAOB 161/4885MAOA 144/4885ALDH1A1 388/4885
US-20120277458-A1 METHOD FOR PRODUCING DIFLUOROCYCLOPROPANE COMPOUND FDPS, PFAS, FDFT1 MAOB 1298/4885MAOA 1500/4885ALDH1A1 658/4885

“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.