SCHEMBL5987722

SCHEMBL5987722

Cc1cc2c(C)coc2cc1F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.47
▸ KDM4E B2RXH2 7/20 0.47
▸ HPGD P15428 4/20 0.40
▸ HSD17B10 Q99714 3/20 0.40
▸ TSHR P16473 2/20 0.40
▸ POLB P06746 2/20 0.38
▸ KCNA3 P22001 5/20 0.37
▸ KCNA2 P16389 1/20 0.37
▸ KCNA1 Q09470 1/20 0.37
▸ ALDH1A2 O94788 1/20 0.37
▸ ALDH2 P05091 1/20 0.37
▸ ALDH1B1 P30837 1/20 0.37
▸ ALDH1A3 P47895 1/20 0.37
▸ ALOX15 P16050 1/20 0.37
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ CYP1A2 P05177 2/20 0.34
▸ CYP2C9 P11712 2/20 0.34
▸ CYP2C19 P33261 2/20 0.34
▸ LMNA P02545 1/20 0.34

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
SCHEMBL5986942 0.91 ALDH1A1 (0.47) ALDH1A1KDM4EHPGDHSD17B10TSHR
SCHEMBL17321061 0.82 ALDH1A1 (0.43) ALDH1A1KDM4EHPGDHSD17B10TSHR
SCHEMBL8404362 0.81 ALDH1A1 (0.53) ALDH1A1KDM4EHPGDHSD17B10TSHR
SCHEMBL19248240 0.81 ALDH1A1 (0.57) ALDH1A1KDM4EHPGDHSD17B10TSHR
SCHEMBL17324282 0.79 ALDH1A1 (0.41) ALDH1A1KDM4EHPGDHSD17B10TSHR
SCHEMBL19248241 0.79 ALDH1A1 (0.67) ALDH1A1KDM4EHPGDHSD17B10TSHR
SCHEMBL17321024 0.77 ALOX15 (0.45) ALDH1A1KDM4EHPGDHSD17B10TSHR
SCHEMBL15147232 0.77 ALDH1A1 (0.43) ALDH1A1KDM4ETSHRPOLBALOX15
SCHEMBL17321026 0.76 ALOX15 (0.34) ALOX15
SCHEMBL19627159 0.75 ALOX15 (0.43) ALDH1A1KDM4EHPGDHSD17B10TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150353544-A1 NOVEL SUBSTITUTED PYRIDO-PIPERAZINONE DERIVATIVES AS GAMMA SECRETASE MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2015-12-10 — — US disclosed
US-8658639-B2 N-substituted-cyclic amino derivative DAINIPPON SUMITOMO PHARMA CO., LTD (JP) 2014-02-25 — — US disclosed
US-8658639-B2 N-substituted-cyclic amino derivative DAINIPPON SUMITOMO PHARMA CO., LTD (JP) 2014-02-25 — — US disclosed
US-8389511-B2 Bicyclic heterocyclic derivative DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2013-03-05 — — US disclosed
US-8389511-B2 Bicyclic heterocyclic derivative DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2013-03-05 — — US disclosed
US-20120122773-A1 N-SUBSTITUTED-CYCLIC AMINO DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2012-05-17 — — US disclosed
US-20120122773-A1 N-SUBSTITUTED-CYCLIC AMINO DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2012-05-17 — — US disclosed
EP-2447264-A1 N-SUBSTITUTED-CYCLIC AMINO DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2012-05-02 — — EP disclosed
US-20110190278-A1 BICYCLIC HETEROCYCLIC DERIVATIVE DAINIPPON SUMITOMO PHARMA CO. 2011-08-04 — — US disclosed
US-20110190278-A1 BICYCLIC HETEROCYCLIC DERIVATIVE DAINIPPON SUMITOMO PHARMA CO. 2011-08-04 — — US disclosed
WO-2010150840-A1 N-SUBSTITUTED-CYCLIC AMINO DERIVATIVE 大日本住友製薬株式会社 (JP) 2010-12-29 — — WO disclosed
EP-2243779-A1 BICYCLIC HETEROCYCLIC DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2010-10-27 — — 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-20150353544-A1 NOVEL SUBSTITUTED PYRIDO-PIPERAZINONE DERIVATIVES AS GAMMA SECRETASE MODULATORS BACE1, BACE2, PSEN1 ALDH1A1 2883/4885KDM4E 1692/4885HPGD 1575/4885
US-20110190278-A1 BICYCLIC HETEROCYCLIC DERIVATIVE REN, AGTR1, AGTR2 ALDH1A1 288/4885KDM4E 2766/4885HPGD 542/4885
US-20120122773-A1 N-SUBSTITUTED-CYCLIC AMINO DERIVATIVE REN, AGTR1, AGTR2 ALDH1A1 484/4885KDM4E 2147/4885HPGD 1041/4885

“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.

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