SCHEMBL8749612

SCHEMBL8749612

CN(C)C(=O)COc1[c]cccc1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 5/20 0.51
▸ POLB P06746 2/20 0.41
▸ NPC1 O15118 3/20 0.40
▸ RAB9A P51151 3/20 0.40
▸ KEAP1 Q14145 3/20 0.39
▸ NFE2L2 Q16236 3/20 0.39
▸ PDK2 Q15119 1/20 0.39
▸ ALDH1A1 P00352 5/20 0.38
▸ HSD17B10 Q99714 4/20 0.38
▸ KDM4E B2RXH2 3/20 0.38
▸ HPGD P15428 3/20 0.38
▸ TP53 P04637 1/20 0.38
▸ GLA P06280 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ RECQL P46063 1/20 0.37
▸ MAPK1 P28482 3/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37

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
SCHEMBL8749753 0.84 RAB9A (0.54) NPC1RAB9AALDH1A1KDM4EGAA
SCHEMBL3127319 0.84 PDK2 (0.41) SMN1; SMN2NPC1RAB9APDK2ALDH1A1
SCHEMBL3130536 0.83 PDK2 (0.42) SMN1; SMN2NPC1RAB9APDK2ALDH1A1
SCHEMBL11850746 0.81 KMT2A (0.39) SMN1; SMN2POLBNPC1RAB9AALDH1A1
SCHEMBL902241 0.79 ALOX15 (0.53) SMN1; SMN2POLBALDH1A1KDM4EHPGD
SCHEMBL1444265 0.79 ALDH1A1 (0.48) SMN1; SMN2NPC1RAB9AALDH1A1HSD17B10
SCHEMBL2565533 0.78 KMT2A (0.40) SMN1; SMN2POLBPDK2ALDH1A1KDM4E
SCHEMBL7048126 0.78 HSD11B1 (0.35) SMN1; SMN2POLBNPC1RAB9AALDH1A1
SCHEMBL1803317 0.77 KDM4E (0.46) SMN1; SMN2PDK2ALDH1A1HSD17B10KDM4E
SCHEMBL6613422 0.77 PKM (0.43) SMN1; SMN2POLBNPC1RAB9APDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9724333-B2 Pyrazole derivative GREEN TECH CO., LTD. (JP) 2017-08-08 — — US disclosed
US-20160228412-A1 NOVEL PYRAZOLE DERIVATIVE GREEN TECH CO., LTD. (JP) 2016-08-11 — — US disclosed
US-9321752-B2 Pyrazole derivative GREEN TECH CO., LTD. (JP) 2016-04-26 — — US disclosed
US-20150252029-A1 Novel Pyrazole Derivative GREEN TECH CO., LTD. (JP) 2015-09-10 — — US disclosed
EP-2907805-A1 NOVEL PYRAZOLE DERIVATIVE Green Tech Co., Ltd. (JP) 2015-08-19 — — EP disclosed
US-5663386-A REACTION WITH AQUEOUS ALKALINE SOLUTION PRODUCES COLOR WHICH PASSES INTO AQUEOUS PHASE BASF AKTIENGESELLSCHAFT (DE) 1997-09-02 — — US disclosed
EP-0689575-B1 ANTHRAQUINONES AS MARKING AGENTS FOR MINERAL OILS BASF AG (DE) 1997-02-05 — — 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 (2 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-20160228412-A1 NOVEL PYRAZOLE DERIVATIVE PSEN2, PSEN1, MAPT SMN1; SMN2 1788/4885POLB 3804/4885NPC1 206/4885
US-20150252029-A1 Novel Pyrazole Derivative PSEN2, PSEN1, MAPT SMN1; SMN2 1788/4885POLB 3804/4885NPC1 206/4885

“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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