SCHEMBL10107216

SCHEMBL10107216

CCCOc1cc(C(F)(F)F)ccc1O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 7/20 0.44
PTGDR2 Q9Y5Y4 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
LMNA P02545 1/20 0.42
TP53 P04637 1/20 0.42
GAA P10253 1/20 0.42
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HSD17B10 Q99714 1/20 0.41
KDM4E B2RXH2 2/20 0.41
POLB P06746 1/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 1/20 0.41
PPARG P37231 1/20 0.41
PPARD Q03181 1/20 0.41
PPARA Q07869 1/20 0.41
SMPD1 P17405 1/20 0.40
CYP1A1 P04798 1/20 0.40

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
SCHEMBL10187551 0.92 ESR1 (0.54) ESR1PTGDR2L3MBTL1ALDH1A1PPARG
SCHEMBL385394 0.81 L3MBTL1 (0.43) PTGDR2L3MBTL1LMNATP53GAA
SCHEMBL384449 0.81 L3MBTL1 (0.43) PTGDR2L3MBTL1LMNACYP1A2CYP2C9
SCHEMBL30187445 0.80 ESR1 (0.49) ESR1ALDH1A1HSD17B10
SCHEMBL14471138 0.79 PPARG (0.51) ESR1PTGDR2L3MBTL1ALDH1A1HSD17B10
SCHEMBL10183560 0.79 L3MBTL1 (0.41) PTGDR2L3MBTL1LMNACYP1A2CYP2C9
SCHEMBL27896854 0.79 SCN8A (0.48) ESR1LMNATP53GAACYP1A2
SCHEMBL957682 0.78 KDM4E (0.62) PTGDR2CYP2C19ALDH1A1HSD17B10KDM4E
SCHEMBL16951778 0.78 SCN8A (0.46) PTGDR2L3MBTL1LMNACYP1A2CYP2C9
SCHEMBL2442358 0.77 MAOB (0.55) ESR1LMNATP53GAAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE45364-E1 Cyclic amine compound and pest control agent NIPPON SODA CO., LTD. (JP) 2015-02-03 US disclosed
EP-2650290-A1 Cyclic amine compound and pest control agent NIPPON SODA CO., LTD. (JP) 2013-10-16 EP disclosed
US-8101768-B2 Cyclic amine compound and pest control agent NIPPON SODA CO., LTD. (JP) 2012-01-24 US disclosed
US-8101768-B2 Cyclic amine compound and pest control agent NIPPON SODA CO., LTD. (JP) 2012-01-24 US disclosed
CN-102002371-A Liquid crystal aligning agent, liquid crystal aligning film, liquid crystal display element, compound and manufacture method of the compound Jsr 2011-04-06 CN disclosed
US-7868178-B2 Cyclic amine compound and pest control agent NIPPON SODA CO., LTD. (JP) 2011-01-11 US disclosed
US-7868178-B2 Cyclic amine compound and pest control agent NIPPON SODA CO., LTD. (JP) 2011-01-11 US disclosed
US-20090143443-A1 CYCLIC AMINE COMPOUND AND PEST CONTROL AGENT NIPPON SODA CO., LTD. (JP) 2009-06-04 US disclosed
US-20090143443-A1 CYCLIC AMINE COMPOUND AND PEST CONTROL AGENT NIPPON SODA CO., LTD. (JP) 2009-06-04 US disclosed
US-7485727-B2 Cyclic amine compound and pest control agent NIPPON SODA CO., LTD. (JP) 2009-02-03 US disclosed
US-7485727-B2 Cyclic amine compound and pest control agent NIPPON SODA CO., LTD. (JP) 2009-02-03 US disclosed
US-20080319003-A1 CYCLIC AMINE COMPOUND AND PEST CONTROL AGENT NIPPON SODA CO., LTD. (JP) 2008-12-25 US disclosed
US-20080319003-A1 CYCLIC AMINE COMPOUND AND PEST CONTROL AGENT NIPPON SODA CO., LTD. (JP) 2008-12-25 US disclosed
US-20080045569-A1 Cyclic Amine Compound and Pest Control Agent NIPPON SODA CO., LTD. (JP) 2008-02-21 US disclosed
US-20080045569-A1 Cyclic Amine Compound and Pest Control Agent NIPPON SODA CO., LTD. (JP) 2008-02-21 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 (3 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-20080045569-A1 Cyclic Amine Compound and Pest Control Agent H1-0, H1-2, H1-4 ESR1 3311/4885PTGDR2 3133/4885L3MBTL1 67/4885
US-20090143443-A1 CYCLIC AMINE COMPOUND AND PEST CONTROL AGENT TAAR1, CBR3, CBR1 ESR1 4251/4885PTGDR2 3162/4885L3MBTL1 134/4885
US-20080319003-A1 CYCLIC AMINE COMPOUND AND PEST CONTROL AGENT H1-0, H1-2, H1-4 ESR1 3245/4885PTGDR2 3347/4885L3MBTL1 61/4885

“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.