SCHEMBL3040407

SCHEMBL3040407

[O]Cc1c(F)cccc1Cl

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.61
GAA P10253 1/20 0.57
KDM4E B2RXH2 2/20 0.51
KMT2A Q03164 2/20 0.49
HTT P42858 2/20 0.49
MAPT P10636 2/20 0.49
BACE1 P56817 1/20 0.49
DAO P14920 2/20 0.47
ATM Q13315 2/20 0.47
MEN1 O00255 1/20 0.47
LMNA P02545 1/20 0.47
CYP2A13 Q16696 1/20 0.47
TP53 P04637 2/20 0.46
PKM P14618 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
RXFP1 Q9HBX9 1/20 0.45

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
SCHEMBL1047600 0.83 TAAR1 (0.43) TAAR1GAAKDM4EKMT2AMAPT
SCHEMBL715636 0.83 AKR1B1 (0.52) TAAR1GAAKMT2AHTTMAPT
SCHEMBL24686248 0.82 TAAR1 (0.61) TAAR1GAAKDM4EKMT2AHTT
SCHEMBL601569 0.79 TAAR1 (0.63) TAAR1GAAKDM4EKMT2AHTT
SCHEMBL30776827 0.79 TAAR1 (0.63) TAAR1GAAKDM4EKMT2AHTT
SCHEMBL28596017 0.79 TAAR1 (0.63) TAAR1GAAKDM4EKMT2AHTT
SCHEMBL3612078 0.78 TAAR1 (0.68) TAAR1GAAKDM4EKMT2AHTT
SCHEMBL6388715 0.78 TAAR1 (0.57) TAAR1GAAKDM4EKMT2AHTT
SCHEMBL5884187 0.77 TAAR1 (0.61) TAAR1GAAKDM4EKMT2AHTT
SCHEMBL17552700 0.77 TAAR1 (0.61) TAAR1GAAKDM4EKMT2AHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8962674-B2 Curcumin derivative TOKYO INSTITUTE OF TECHNOLOGY (JP) 2015-02-24 US claimed
US-20100048901-A1 NOVEL CURCUMIN DERIVATIVE TOKYO INSTITUTE OF TECHNOLOGY (JP) 2010-02-25 US claimed
EP-2123637-A1 NOVEL CURCUMIN DERIVATIVE Tokyo Institute of Technology (JP) 2009-11-25 EP claimed
EP-3020715-B1 TETRAZOLINONE COMPOUND AND USE THEREOF SUMITOMO CHEMICAL CO (JP) 2021-06-16 EP disclosed
WO-2021006267-A1 SALT OF PYRAZOLE DERIVATIVE AND PREPARATION OF PYRAZOLE DERIVATIVE グリーン・テック株式会社 2021-01-14 WO disclosed
WO-2020235582-A1 PREVENTIVE AND/OR THERAPEUTIC AGENT FOR MOTOR NEURON DISEASE グリーン・テック株式会社 (JP) 2020-11-26 WO disclosed
EP-2841429-B1 TETRAZOLINONE COMPOUNDS AND ITS USE AS PESTICIDES SUMITOMO CHEMICAL CO (JP) 2020-10-21 EP disclosed
EP-3040332-B1 TETRAZOLINONE COMPOUND AND USE OF SAME SUMITOMO CHEMICAL CO (JP) 2020-06-03 EP disclosed
EP-2990404-B1 TETRAZOLINONE COMPOUND AND USE OF SAME SUMITOMO CHEMICAL CO (JP) 2020-05-27 EP disclosed
EP-3061756-B1 TETRAZOLINONE COMPOUND AND USE THEREOF SUMITOMO CHEMICAL CO (JP) 2018-11-14 EP disclosed
EP-3323816-A1 NOVEL PYRAZOLE DERIVATIVE Green Tech Co., Ltd. (JP) 2018-05-23 EP disclosed
EP-2395835-A1 AGONISTS AND ANTAGONISTS OF THE SIP5 RECEPTOR, AND METHODS OF USES THEREOF Abbott Laboratories (US) 2011-12-21 EP disclosed
US-20100216762-A1 Agonists and Antagonists of the S1P5 Receptor, and Methods of Use Thereof ABBOTT LABORATORIES (US) 2010-08-26 US disclosed
WO-2010093704-A1 AGONISTS AND ANTAGONISTS OF THE S1P5 RECEPTOR, AND METHODS OF USES THEREOF ABBOTT LABORATORIES (US) 2010-08-19 WO disclosed
US-20100048901-A1 NOVEL CURCUMIN DERIVATIVE TOKYO INSTITUTE OF TECHNOLOGY (JP) 2010-02-25 US disclosed
EP-2123637-A1 NOVEL CURCUMIN DERIVATIVE Tokyo Institute of Technology (JP) 2009-11-25 EP disclosed
US-20070112040-A1 Amino nicotinate derivatives as glucokinase (GLK) modulators ASTRAZENECA AB 2007-05-17 US disclosed
EP-0212428-B1 DIHYDROBENZO/B /THIOPHENES AND PHARMACEUTICAL COMPOSITIONS THEREOF USEFUL AS ANTIFUNGALS SCHERING CORPORATION (US) 1990-06-06 EP disclosed
US-4731364-A Dihydrobenzo(B)thiophenes and pharmaceutical compositions thereof useful as antifungals SCHERING CORPORATION (US) 1988-03-15 US disclosed
EP-0212428-A1 Dihydrobenzo/b /thiophenes and pharmaceutical compositions thereof useful as antifungals SCHERING CORPORATION (US) 1987-03-04 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 (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-20100048901-A1 NOVEL CURCUMIN DERIVATIVE BACE1, APP, BACE2 TAAR1 789/4885GAA 2715/4885KDM4E 1141/4885
US-20070112040-A1 Amino nicotinate derivatives as glucokinase (GLK) modulators GCK, GCKR, NADK TAAR1 1358/4885GAA 679/4885KDM4E 1777/4885
US-20100216762-A1 Agonists and Antagonists of the S1P5 Receptor, and Methods of Use Thereof S1PR5, LPAR5, S1PR1 TAAR1 326/4885GAA 3032/4885KDM4E 857/4885

“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.