SCHEMBL6536342

SCHEMBL6536342

O=Cc1ccc(CC(F)(F)F)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 4/20 0.41
HSD17B10 Q99714 1/20 0.41
ALDH5A1 P51649 1/20 0.41
ABAT P80404 1/20 0.41
ALDH1A1 P00352 7/20 0.39
KIF11 P52732 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NR3C1 P04150 1/20 0.39
NR3C2 P08235 1/20 0.39
ALDH3A1 P30838 1/20 0.39
ALDH1A3 P47895 1/20 0.39
KMT2A Q03164 1/20 0.39
TYR P14679 1/20 0.37
KDM4E B2RXH2 1/20 0.37
CYP2A13 Q16696 1/20 0.37
EPHX2 P34913 1/20 0.37
NR1H4 Q96RI1 1/20 0.37

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
SCHEMBL24181312 0.89 PARP10 (0.46) CYP2A6ALDH1A1LMNAMAPTHPGD
SCHEMBL7670360 0.80 ESR1 (0.38) ALDH1A1
SCHEMBL13437662 0.79 PANK3 (0.33)
SCHEMBL16903598 0.78 CYP2A6 (0.38) CYP2A6HSD17B10ALDH5A1ABATALDH1A1
SCHEMBL2646831 0.77 ESR1 (0.52) CYP2A6HSD17B10ALDH5A1ABATALDH1A1
SCHEMBL3026921 0.77 HSD17B10 (0.46) CYP2A6HSD17B10ALDH5A1ABATALDH1A1
SCHEMBL7141602 0.75 MAOA (0.45) CYP2A6ALDH1A1SMN1; SMN2RAB9APOLB
SCHEMBL3976211 0.75 CYP2A6 (0.52) CYP2A6HSD17B10ALDH5A1ABATALDH1A1
SCHEMBL6947258 0.74 ALDH5A1 (0.43) CYP2A6HSD17B10ALDH5A1ABATALDH1A1
SCHEMBL24628752 0.74 ALDH1A1 (0.46) ALDH1A1LMNAMAPTKMT2AKDM4E

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111518166-A Peptide-like compound or pharmaceutically acceptable salt thereof, and preparation method and application thereof 中国药科大学 2020-08-11 CN disclosed
CN-105873925-B Antiparasitic and insecticidal isoxazoline compounds 勃林格殷格翰动物保健美国公司 2019-09-10 CN disclosed
US-9955689-B2 Method for promoting plant growth SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2018-05-01 US disclosed
US-9894901-B2 Method for promoting plant growth SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2018-02-20 US disclosed
US-9872493-B2 Method for promoting plant growth SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2018-01-23 US disclosed
CN-106748638-A A kind of preparation method of trifluoroethyl substituted arene compound 四川理工学院 2017-05-31 CN disclosed
CN-105873925-A Antiparasitic and insecticidal isoxazoline compounds 梅里亚股份有限公司 2016-08-17 CN disclosed
US-20150305332-A1 METHOD FOR PROMOTING PLANT GROWTH SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-10-29 US disclosed
US-20150289506-A1 METHOD FOR PROMOTING PLANT GROWTH SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-10-15 US disclosed
US-20150289512-A1 METHOD FOR PROMOTING PLANT GROWTH SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-10-15 US disclosed
EP-2923573-A1 METHOD FOR PROMOTING PLANT GROWTH Sumitomo Chemical Company Limited (JP) 2015-09-30 EP disclosed
EP-2923574-A1 METHOD FOR PROMOTING PLANT GROWTH Sumitomo Chemical Company Limited (JP) 2015-09-30 EP disclosed
EP-1425015-A4 TETRAHYDROQUINOLINE DERIVATIVES AS ANTITHROMBOTIC AGENTS BRISTOL MYERS SQUIBB CO (US) 2004-12-15 EP disclosed
EP-1425015-A2 TETRAHYDROQUINOLINE DERIVATIVES AS ANTITHROMBOTIC AGENTS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-06-09 EP disclosed
US-6593335-B1 Disease than can be ameliorated with a potassium channel opener in a host mammal, comprising administering to the mammal in need thereof a therapeutically effective amount of the compound of claim 1; said disease is epilepsy, Raynaud's ABBOTT LABORATORIES 2003-07-15 US disclosed
WO-2003015715-A2 TETRAHYDROQUINOLINE DERIVATIVES AS ANTITHROMBOTIC AGENTS BRISTOL-MYERS SQUIBB COMPANY (US) 2003-02-27 WO disclosed
US-6512030-B2 Plastic additives which are useful as nucleating agents and which are especially useful for improving the optical properties of polymeric materials such as polyolefins; also as gelling agents for antiperspirant gels MILLIKEN & COMPANY 2003-01-28 US disclosed
US-20020193473-A1 Novel asymmetric monofluorinated benzaldehyde alditol derivatives and compositions and articles containing same MILLIKEN & COMPANY 2002-12-19 US disclosed
EP-1194429-A1 POTASSIUM CHANNEL OPENERS Abbott Laboratories (US) 2002-04-10 EP disclosed
WO-2000078768-A1 POTASSIUM CHANNEL OPENERS ABBOTT LABORATORIES (US) 2000-12-28 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 (4 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-20150289506-A1 METHOD FOR PROMOTING PLANT GROWTH FGF2, BROX, BOLA2; BOLA2B CYP2A6 623/4885HSD17B10 199/4885ALDH5A1 777/4885
US-20150305332-A1 METHOD FOR PROMOTING PLANT GROWTH FGF1, BROX, FGF2 CYP2A6 1195/4885HSD17B10 1052/4885ALDH5A1 2077/4885
US-20020193473-A1 Novel asymmetric monofluorinated benzaldehyde alditol derivatives and compositions and articles containing same DERA, ALDOA, SORD CYP2A6 3577/4885HSD17B10 1269/4885ALDH5A1 376/4885
US-20150289512-A1 METHOD FOR PROMOTING PLANT GROWTH FGF1, MKI67, FGF2 CYP2A6 1797/4885HSD17B10 432/4885ALDH5A1 1922/4885

“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.