SCHEMBL328834

SCHEMBL328834

[CH2]OC(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.44
MAPK1 P28482 1/20 0.42
KCNN4 O15554 5/20 0.41
ALDH1A1 P00352 3/20 0.41
TSHR P16473 2/20 0.41
ALOX15 P16050 1/20 0.39
CYP1A2 P05177 2/20 0.33
TAAR1 Q96RJ0 1/20 0.33
PTPN1 P18031 1/20 0.32
ESR1 P03372 1/20 0.32
CYP3A4 P08684 1/20 0.32
ESR2 Q92731 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32

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
SCHEMBL4017205 0.82 CA4 (0.50) KIF11
SCHEMBL3932304 0.82 CA4 (0.50) KIF11
SCHEMBL9085801 0.81 KCNN4 (0.46) KIF11KCNN4ALDH1A1TSHRPTPN1
SCHEMBL8973 0.75 KIF11 (0.48) KIF11MAPK1KCNN4ALDH1A1TSHR
SCHEMBL297786 0.75 MAPK1 (0.52) KIF11MAPK1KCNN4ALDH1A1TSHR
Ammonia Solution, Strong SCHEMBL23726528 0.73 KIF11 (0.46) KIF11MAPK1KCNN4ALDH1A1TSHR
Hydrochloric Acid SCHEMBL28556207 0.73 KIF11 (0.46) KIF11MAPK1KCNN4ALDH1A1TSHR
Bromide SCHEMBL28557682 0.73 KIF11 (0.46) KIF11MAPK1KCNN4ALDH1A1TSHR
SCHEMBL15093614 0.72 MAPK1 (0.64) MAPK1KCNN4ALDH1A1TSHRALOX15
SCHEMBL7201481 0.72 TSHR (0.50) KIF11MAPK1KCNN4ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8962858-B2 Methods and compounds useful in the synthesis of fused aminodihydrothiazine derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2015-02-24 US claimed
US-20140309429-A1 METHODS AND COMPOUNDS USEFUL IN THE SYNTHESIS OF FUSED AMINODIHYDROTHIAZINE DERIVATIVES EISAI R&D MAN CO LTD (JP) 2014-10-16 US claimed
EP-2665716-A1 METHODS AND COMPOUNDS USEFUL IN THE SYNTHESIS OF FUSED AMINODIHYDROTHIAZINE DERIVATIVES Eisai R&D Management Co., Ltd. (JP) 2013-11-27 EP claimed
US-20130197244-A1 METHODS AND COMPOUNDS USEFUL IN THE SYNTHESIS OF FUSED AMINODIHYDROTHIAZINE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2013-08-01 US claimed
US-8426584-B2 Methods and compounds useful in the synthesis of fused aminodihydrothiazine derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2013-04-23 US claimed
US-20120190848-A1 METHODS AND COMPOUNDS USEFUL IN THE SYNTHESIS OF FUSED AMINODIHYDROTHIAZINE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-07-26 US claimed
WO-2012100179-A1 METHODS AND COMPOUNDS USEFUL IN THE SYNTHESIS OF FUSED AMINODIHYDROTHIAZINE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-07-26 WO claimed
EP-1660450-A4 MONOMERS, OLIGOMERS AND POLYMERS OF 2-FUNCTIONALIZED AND 2,7-DIFUNCTIONALIZED CARBAZOLES UNIV LAVAL (CA) 2009-07-29 EP claimed
US-20080177108-A1 Phenyloxyaniline derivatives BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-07-24 US claimed
US-20080170993-A1 THYMIDINE ANALOGS FOR IMAGING BAYER SCHERING PHARMA AG (DE) 2008-07-17 US claimed
WO-2005016882-A1 MONOMERS, OLIGOMERS AND POLYMERS OF 2-FUNCTIONALIZED AND 2,7-DIFUNCTIONALIZED CARBAZOLES UNIVERSITE LAVAL (CA) 2005-02-24 WO claimed
WO-2004064745-A2 METHOD OF PREPARATION OF HETEROCYCLIC MOLECULES WITH PHARMACEUTICAL PHARMACEUTICAL EXCIPIENT COSMECEUTICAL AGROCHEMICAL AND INDUSTRIAL USES AUSPEX PHARMACEUTICALS, INC. (US) 2004-08-05 WO claimed
EP-0999204-A1 NOVEL COMPOUND HAVING EFFECT OF PROMOTING NEURON DIFFERENTIATION Nippon Kayaku Kabushiki Kaisha (JP) 2000-05-10 EP claimed
US-5554757-A Process for the preparation of imidazopyridine derivatives, and intermediates therefore EISAI CO., LTD. (JP) 1996-09-10 US claimed
EP-0436157-B1 Quinazoline derivatives and their preparation FUJISAWA PHARMACEUTICAL CO (JP) 1995-08-23 EP claimed
EP-0627433-A1 PROCESS FOR PRODUCING IMIDAZOPYRIDINE DERIVATIVE AND INTERMEDIATE Eisai Co., Ltd. (JP) 1994-12-07 EP claimed
US-5296487-A Dopamine antagonist for nervous system disorders FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-03-22 US claimed
US-5264438-A Dopamine receptor agonists FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-11-23 US claimed
EP-0436157-A1 Quinazoline derivatives and their preparation FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1991-07-10 EP claimed
EP-0235796-A2 Dibenz [b,e] oxepin derivative and antiallergic and antiinflammatory agent KYOWA HAKKO KOGYO CO., LTD. (JP) 1987-09-09 EP claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 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-20140309429-A1 METHODS AND COMPOUNDS USEFUL IN THE SYNTHESIS OF FUSED AMINODIHYDROTHIAZINE DERIVATIVES APP, BACE1, BACE2 KIF11 4773/4885MAPK1 4366/4885KCNN4 4504/4885
US-20130197244-A1 METHODS AND COMPOUNDS USEFUL IN THE SYNTHESIS OF FUSED AMINODIHYDROTHIAZINE DERIVATIVES APP, BACE1, BACE2 KIF11 4773/4885MAPK1 4366/4885KCNN4 4504/4885
US-20080170993-A1 THYMIDINE ANALOGS FOR IMAGING TK1, TYMP, TK2 KIF11 957/4885MAPK1 1590/4885KCNN4 4240/4885
US-20120190848-A1 METHODS AND COMPOUNDS USEFUL IN THE SYNTHESIS OF FUSED AMINODIHYDROTHIAZINE DERIVATIVES APP, BACE1, BACE2 KIF11 4773/4885MAPK1 4366/4885KCNN4 4504/4885
US-20080177108-A1 Phenyloxyaniline derivatives PNMT, PAH, NAT1 KIF11 4498/4885MAPK1 1981/4885KCNN4 2940/4885

“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.