SCHEMBL17400293

SCHEMBL17400293

Cc1c(CC(C)C)[nH]c2ccccc2c1=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 6/20 0.51
HTT P42858 2/20 0.48
ALDH1A1 P00352 2/20 0.48
GAA P10253 2/20 0.48
KDM4E B2RXH2 1/20 0.48
LMNA P02545 1/20 0.48
GLA P06280 1/20 0.48
HPGD P15428 1/20 0.48
ATM Q13315 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
MEN1 O00255 1/20 0.45
NPC1 O15118 1/20 0.45
POLB P06746 1/20 0.45
KMT2A Q03164 1/20 0.45
DAO P14920 1/20 0.42
DDO Q99489 1/20 0.42
CYP1A2 P05177 2/20 0.42
CYP2C19 P33261 1/20 0.42
TNKS2 Q9H2K2 1/20 0.42
ABCB1 P08183 1/20 0.42

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
SCHEMBL20274465 0.81 HTT (0.60) CYP2D6HTTALDH1A1GAAKDM4E
SCHEMBL13096663 0.80 CYP2D6 (0.53) CYP2D6HTTALDH1A1GAAKDM4E
SCHEMBL20030409 0.80 CYP2D6 (0.51) CYP2D6HTTALDH1A1GAAKDM4E
Hydrochloric Acid SCHEMBL3097740 0.79 CYP2D6 (0.52) CYP2D6HTTALDH1A1GAAKDM4E
SCHEMBL8024152 0.77 CYP2D6 (0.51) CYP2D6HTTALDH1A1GAAKDM4E
SCHEMBL8537338 0.75 CYP2D6 (0.66) CYP2D6HTTALDH1A1GAAKDM4E
SCHEMBL17400309 0.75 CYP2D6 (0.49) CYP2D6HTTALDH1A1GAAKDM4E
SCHEMBL21555486 0.75 CYP2D6 (0.55) CYP2D6HTTALDH1A1GAAKDM4E
SCHEMBL20274750 0.75 CYP2D6 (0.49) CYP2D6HTTALDH1A1GAAKDM4E
SCHEMBL31514827 0.75 KDM4E (0.46) ALDH1A1GAAKDM4EHPGDSMN1; SMN2

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-10202347-B2 Compound, production method therefor, and use of said compound MICROBIAL CHEMISTRY RESEARCH FOUNDATION (JP) 2019-02-12 US disclosed
EP-3336080-A1 NOVEL COMPOUND, PRODUCTION METHOD THEREFOR, AND USE OF SAID COMPOUND Microbial Chemistry Research Foundation (JP) 2018-06-20 EP disclosed
EP-3336081-A1 NOVEL COMPOUND, PRODUCTION METHOD THEREFOR, AND USE OF SAID COMPOUND Microbial Chemistry Research Foundation (JP) 2018-06-20 EP disclosed
US-20180093954-A1 NOVEL COMPOUND, PRODUCTION METHOD THEREFOR, AND USE OF SAID COMPOUND MICROBIAL CHEMISTRY RESEARCH FOUNDATION (JP) 2018-04-05 US disclosed
US-20180093954-A1 NOVEL COMPOUND, PRODUCTION METHOD THEREFOR, AND USE OF SAID COMPOUND MICROBIAL CHEMISTRY RESEARCH FOUNDATION (JP) 2018-04-05 US disclosed
EP-2963020-B1 NOVEL COMPOUND, PRODUCTION METHOD THEREFOR, AND USE OF SAID COMPOUND MICROBIAL CHEM RES FOUND (JP) 2017-12-27 EP disclosed
US-9850211-B2 Compound, production method therefor, and use of said compound MICROBIAL CHEMISTRY RESEARCH FOUNDATION (JP) 2017-12-26 US disclosed
US-9850211-B2 Compound, production method therefor, and use of said compound MICROBIAL CHEMISTRY RESEARCH FOUNDATION (JP) 2017-12-26 US disclosed
US-20170174631-A1 NOVEL COMPOUND, PRODUCTION METHOD THEREFOR, AND USE OF SAID COMPOUND MICROBIAL CHEMISTRY RESEARCH FOUNDATION (JP) 2017-06-22 US disclosed
US-20170174631-A1 NOVEL COMPOUND, PRODUCTION METHOD THEREFOR, AND USE OF SAID COMPOUND MICROBIAL CHEMISTRY RESEARCH FOUNDATION (JP) 2017-06-22 US disclosed
US-9617217-B2 Compound, production method therefor, and use of said compound MICROBIAL CHEMISTRY RESEARCH FOUNDATION (JP) 2017-04-11 US disclosed
US-9617217-B2 Compound, production method therefor, and use of said compound MICROBIAL CHEMISTRY RESEARCH FOUNDATION (JP) 2017-04-11 US disclosed
US-20160009651-A1 NOVEL COMPOUND, PRODUCTION METHOD THEREFOR, AND USE OF SAID COMPOUND MICROBIAL CHEMISTRY RESEARCH FOUNDATION (JP) 2016-01-14 US disclosed
US-20160009651-A1 NOVEL COMPOUND, PRODUCTION METHOD THEREFOR, AND USE OF SAID COMPOUND MICROBIAL CHEMISTRY RESEARCH FOUNDATION (JP) 2016-01-14 US disclosed
EP-2963020-A1 NOVEL COMPOUND, PRODUCTION METHOD THEREFOR, AND USE OF SAID COMPOUND Microbial Chemistry Research Foundation (JP) 2016-01-06 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 (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-20170174631-A1 NOVEL COMPOUND, PRODUCTION METHOD THEREFOR, AND USE OF SAID COMPOUND CYP51A1, PGC, GGPS1 CYP2D6 1320/4885HTT 2303/4885ALDH1A1 1465/4885
US-20160009651-A1 NOVEL COMPOUND, PRODUCTION METHOD THEREFOR, AND USE OF SAID COMPOUND PGC, WEE1, CYP51A1 CYP2D6 960/4885HTT 1699/4885ALDH1A1 2234/4885
US-10202347-B2 Compound, production method therefor, and use of said compound PGC, CYP51A1, WEE1 CYP2D6 898/4885HTT 1067/4885ALDH1A1 2334/4885
US-20180093954-A1 NOVEL COMPOUND, PRODUCTION METHOD THEREFOR, AND USE OF SAID COMPOUND PGC, WEE1, CYP51A1 CYP2D6 960/4885HTT 1699/4885ALDH1A1 2234/4885

“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.