SCHEMBL1611986

SCHEMBL1611986

[C]#CCc1cccc2ccccc12

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.52
CYP2C19 P33261 2/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2D6 P10635 2/20 0.48
TDP1 Q9NUW8 2/20 0.47
ACP3 P15309 1/20 0.46
HPGD P15428 2/20 0.42
ALDH1A1 P00352 2/20 0.42
HTT P42858 1/20 0.42
CA2 P00918 1/20 0.42
MEN1 O00255 1/20 0.42
MAPT P10636 1/20 0.42
KMT2A Q03164 1/20 0.42
CYP2A6 P11509 1/20 0.40
TSHR P16473 1/20 0.40
HSD17B10 Q99714 1/20 0.40
MTNR1A P48039 1/20 0.40
POLB P06746 1/20 0.40
CTNNB1 P35222 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
SCHEMBL146603 0.83 CYP1A2 (0.52) CYP1A2CYP2C19CYP2C9CYP2D6TDP1
SCHEMBL2858430 0.82 CYP1A2 (0.56) CYP1A2CYP2C19CYP2C9CYP2D6TDP1
SCHEMBL2858432 0.82 CYP1A2 (0.56) CYP1A2CYP2C19CYP2C9CYP2D6TDP1
SCHEMBL1612200 0.82 ALDH1A1 (0.38) CYP1A2CYP2C19CYP2C9CYP2D6TDP1
SCHEMBL1306449 0.79 CYP1A2 (0.48) CYP1A2CYP2C19CYP2C9CYP2D6TDP1
SCHEMBL182660 0.78 CYP1A2 (0.52) CYP1A2CYP2C19CYP2C9CYP2D6TDP1
SCHEMBL7033804 0.78 CYP1A2 (0.57) CYP1A2CYP2C19CYP2C9CYP2D6TDP1
SCHEMBL6176844 0.78 CYP1A2 (0.52) CYP1A2CYP2C19CYP2C9CYP2D6TDP1
SCHEMBL30559660 0.78 CYP1A2 (0.52) CYP1A2CYP2C19CYP2C9CYP2D6TDP1
SCHEMBL1612397 0.76 CYP1A2 (0.46) CYP1A2CYP2C19CYP2C9CYP2D6TDP1

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
US-20220047540-A1 CATECHOL O-METHYLTRANSFERASE ACTIVITY INHIBITING COMPOUNDS ORION CORP (FI) 2022-02-17 US disclosed
US-20200352898-A1 CATECHOL O-METHYLTRANSFERASE ACTIVITY INHIBITING COMPOUNDS ORION CORP (FI) 2020-11-12 US disclosed
US-20190029990-A1 CATECHOL O-METHYLTRANSFERASE ACTIVITY INHIBITING COMPOUNDS ORION CORP (FI) 2019-01-31 US disclosed
EP-3098226-B1 BORATE-BASED BASE GENERATOR, AND BASE-REACTIVE COMPOSITION COMPRISING SUCH BASE GENERATOR FUJIFILM WAKO PURE CHEMICAL CORP (JP) 2018-12-12 EP disclosed
US-10100070-B2 Borate-based base generator, and base-reactive composition comprising such base generator FUJIFILM WAKO PURE CHEMICAL CORPORATION (JP) 2018-10-16 US disclosed
US-20180042233-A1 NITROGEN-CONTAINING HETEROCYCLIC DERIVATIVE HAVING 2-IMINO GROUP AND PEST CONTROL AGENT INCLUDING THE SAME MEIJI SEIKA PHARMA CO., LTD. (JP) 2018-02-15 US disclosed
US-20170165219-A1 CATECHOL O-METHYLTRANSFERASE ACTIVITY INHIBITING COMPOUNDS ORION CORP (FI) 2017-06-15 US disclosed
EP-2634174-B1 Nitrogen-containing heterocyclic derivate having 2-imino group and pest control agent including the same MEIJI SEIKA PHARMA CO LTD (JP) 2017-05-17 EP disclosed
EP-2855426-B1 CATECHOL O-METHYLTRANSFERASE ACTIVITY INHIBITING COMPOUNDS ORION CORP (FI) 2017-01-04 EP disclosed
EP-3098226-A1 BORATE-BASED BASE GENERATOR, AND BASE-REACTIVE COMPOSITION COMPRISING SUCH BASE GENERATOR Wako Pure Chemical Industries, Ltd. (JP) 2016-11-30 EP disclosed
US-20150218124-A1 CATECHOL O-METHYLTRANSFERASE ACTIVITY INHIBITING COMPOUNDS ORION CORPORATION (FI) 2015-08-06 US disclosed
US-20150005347-A1 NITROGEN-CONTAINING HETEROCYCLIC DERIVATIVE HAVING 2-IMINO GROUP AND PEST CONTROL AGENT INCLUDING THE SAME MEIJI SEIKA PHARMA CO., LTD. (JP) 2015-01-01 US disclosed
WO-2013129692-A2 NITROGEN-CONTAINING HETEROCYCLIC DERIVATIVE HAVING 2-IMINO GROUP AND PEST CONTROL AGENT INCLUDING THE SAME MEIJI SEIKA PHARMA CO., LTD. (JP) 2013-09-06 WO disclosed
EP-2634174-A2 Nitrogen-containing hetercyclic derivate having 2-imino group and pest control agent including the same Meiji Seika Pharma Co., Ltd. (JP) 2013-09-04 EP disclosed
US-7943612-B2 Compounds that modulate PPAR activity, their preparation and use HIGH POINT PHARMACEUTICALS, LLC (US) 2011-05-17 US disclosed
US-20110087034-A1 Organic Semiconductor Material SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2011-04-14 US disclosed
EP-2248818-A1 ORGANIC SEMICONDUCTOR MATERIAL Sumitomo Chemical Company, Limited (JP) 2010-11-10 EP disclosed
US-20090048257-A1 COMPOUNDS THAT MODULATE PPAR ACTIVITY, THEIR PREPARATION AND USE HIGH POINT PHARMACEUTICALS, LLC 2009-02-19 US disclosed
EP-1999098-A2 COMPOUNDS THAT MODULATE PPAR ACTIVITY, THEIR PREPARATION AND USE High Point Pharmaceuticals, LLC (US) 2008-12-10 EP disclosed
WO-2007101864-A2 COMPOUNDS THAT MODULATE PPAR ACTIVITY, THEIR PREPARATION AND USE HIGH POINT PHARMACEUTICALS, LLC (US) 2007-09-13 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 (10 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-10100070-B2 Borate-based base generator, and base-reactive composition comprising such base generator BLM, HPRT1, BROX CYP1A2 3248/4885CYP2C19 916/4885CYP2C9 1860/4885
US-20170165219-A1 CATECHOL O-METHYLTRANSFERASE ACTIVITY INHIBITING COMPOUNDS COMT, PNMT, HNMT CYP1A2 33/4885CYP2C19 47/4885CYP2C9 45/4885
US-20200352898-A1 CATECHOL O-METHYLTRANSFERASE ACTIVITY INHIBITING COMPOUNDS COMT, PNMT, HNMT CYP1A2 33/4885CYP2C19 47/4885CYP2C9 45/4885
US-20190029990-A1 CATECHOL O-METHYLTRANSFERASE ACTIVITY INHIBITING COMPOUNDS COMT, PNMT, HNMT CYP1A2 33/4885CYP2C19 47/4885CYP2C9 45/4885
US-20090048257-A1 COMPOUNDS THAT MODULATE PPAR ACTIVITY, THEIR PREPARATION AND USE PPARD, PPARG, PPARA CYP1A2 623/4885CYP2C19 372/4885CYP2C9 854/4885
US-20180042233-A1 NITROGEN-CONTAINING HETEROCYCLIC DERIVATIVE HAVING 2-IMINO GROUP AND PEST CONTROL AGENT INCLUDING THE SAME CBR1, CBR3, NIT2 CYP1A2 78/4885CYP2C19 331/4885CYP2C9 137/4885
US-20150005347-A1 NITROGEN-CONTAINING HETEROCYCLIC DERIVATIVE HAVING 2-IMINO GROUP AND PEST CONTROL AGENT INCLUDING THE SAME CBR1, CBR3, NIT2 CYP1A2 78/4885CYP2C19 331/4885CYP2C9 137/4885
US-20150218124-A1 CATECHOL O-METHYLTRANSFERASE ACTIVITY INHIBITING COMPOUNDS COMT, PNMT, HNMT CYP1A2 33/4885CYP2C19 47/4885CYP2C9 45/4885
US-20110087034-A1 Organic Semiconductor Material OR10J3, TST, OR51E2 CYP1A2 125/4885CYP2C19 664/4885CYP2C9 823/4885
US-20220047540-A1 CATECHOL O-METHYLTRANSFERASE ACTIVITY INHIBITING COMPOUNDS COMT, PNMT, HNMT CYP1A2 33/4885CYP2C19 47/4885CYP2C9 45/4885

“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.