SCHEMBL677695

SCHEMBL677695

CC(C)(C)C(=O)CSc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.61
RAB9A P51151 3/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
KMT2A Q03164 2/20 0.54
PTGES O14684 1/20 0.53
HSD11B1 P28845 2/20 0.51
DUSP10 Q9Y6W6 2/20 0.51
NPC1 O15118 3/20 0.49
MEN1 O00255 1/20 0.47
HTT P42858 2/20 0.46
MAPT P10636 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
ALDH1A1 P00352 2/20 0.44
MTNR1A P48039 1/20 0.44
MTNR1B P49286 1/20 0.44
FKBP1A P62942 1/20 0.44
POLB P06746 1/20 0.44
ATM Q13315 1/20 0.44

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
SCHEMBL14519736 0.81 ALDH1A1 (0.55) RAB9ASMN1; SMN2KMT2APTGESHSD11B1
SCHEMBL10633574 0.81 HPGD (0.51) RAB9ASMN1; SMN2KMT2ANPC1MEN1
SCHEMBL12868378 0.80 ALDH1A1 (0.56) FFAR1RAB9ASMN1; SMN2KMT2APTGES
SCHEMBL10814768 0.80 FFAR1 (0.61) FFAR1SMN1; SMN2KMT2ANPC1MEN1
SCHEMBL677696 0.79 MAOA (0.47) RAB9ASMN1; SMN2KMT2APTGESHSD11B1
SCHEMBL6085096 0.78 NPC1 (0.52) RAB9AKMT2ANPC1HTTMAPT
SCHEMBL7407 0.77 FFAR1 (0.68) FFAR1KMT2AHSD11B1NPC1MEN1
SCHEMBL13799728 0.77 FFAR1 (0.52) FFAR1RAB9ASMN1; SMN2KMT2ANPC1
SCHEMBL9179407 0.76 FFAR1 (0.74) FFAR1RAB9ASMN1; SMN2KMT2ANPC1
SCHEMBL74365 0.76 FFAR1 (1.00) FFAR1KMT2ANPC1MEN1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210032229-A1 PYRIDINE RING-SUBSTITUTED PYRIDAZINOL COMPOUNDS AND DERIVATIVES, PREPARATION METHODS, HERBICIDAL COMPOSITIONS AND APPLICATIONS THEREOF QINGDAO KINGAGROOT CHEMICAL COMPOUND CO., LTD. (CN) 2021-02-04 US disclosed
US-20210032222-A1 FIVE-MEMBERED RING-SUBSTITUTED PYRIDAZINOL COMPOUNDS AND DERIVATIVES, PREPARATION METHODS, HERBICIDAL COMPOSITIONS AND APPLICATIONS THEREOF QINGDAO KINGAGROOT CHEMICAL COMPOUND CO., LTD. (CN) 2021-02-04 US disclosed
US-8895744-B2 Alfa-carboline inhibitors of NPM-ALK, RET, and Bcr-Abl UNIVERSITA' DEGLI STUDI DI MILANO-BICOCCA (IT) 2014-11-25 US disclosed
US-8895744-B2 Alfa-carboline inhibitors of NPM-ALK, RET, and Bcr-Abl UNIVERSITA' DEGLI STUDI DI MILANO-BICOCCA (IT) 2014-11-25 US disclosed
US-20110281862-A1 ALFA-CARBOLINE INHIBITORS OF NPM-ALK, RET, AND BCR-ABL UNIVERSITA' DEGLI STUDI DI MILANO - BICOCCA (IT) 2011-11-17 US disclosed
US-20110152480-A1 Catalysts for Polymerizing Olefins and Method Thereof BASELL POLIOLEFINE ITALIA S.R.L. (IT) 2011-06-23 US disclosed
US-20110152480-A1 Catalysts for Polymerizing Olefins and Method Thereof BASELL POLIOLEFINE ITALIA S.R.L. (IT) 2011-06-23 US disclosed
US-20110152480-A1 Catalysts for Polymerizing Olefins and Method Thereof BASELL POLIOLEFINE ITALIA S.R.L. (IT) 2011-06-23 US disclosed
EP-2331589-A1 CATALYSTS FOR POLYMERIZING OLEFINS AND METHOD THEREOF Basell Poliolefine Italia S.R.L. (IT) 2011-06-15 EP disclosed
WO-2010026184-A1 CATALYSTS FOR POLYMERIZING OLEFINS AND METHOD THEREOF BASELL POLIOLEFINE ITALIA S.R.L. (IT) 2010-03-11 WO disclosed
WO-2010026184-A1 CATALYSTS FOR POLYMERIZING OLEFINS AND METHOD THEREOF BASELL POLIOLEFINE ITALIA S.R.L. (IT) 2010-03-11 WO 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-20210032229-A1 PYRIDINE RING-SUBSTITUTED PYRIDAZINOL COMPOUNDS AND DERIVATIVES, PREPARATION METHODS, HERBICIDAL COMPOSITIONS AND APPLICATIONS THEREOF CBR3, CBR1, H1-0 FFAR1 1555/4885RAB9A 3172/4885SMN1; SMN2 3827/4885
US-20110281862-A1 ALFA-CARBOLINE INHIBITORS OF NPM-ALK, RET, AND BCR-ABL ALK, BCR, NPM1 FFAR1 1201/4885RAB9A 2539/4885SMN1; SMN2 3499/4885
US-20210032222-A1 FIVE-MEMBERED RING-SUBSTITUTED PYRIDAZINOL COMPOUNDS AND DERIVATIVES, PREPARATION METHODS, HERBICIDAL COMPOSITIONS AND APPLICATIONS THEREOF CBR3, CBR1, CYP8B1 FFAR1 982/4885RAB9A 1211/4885SMN1; SMN2 3292/4885

“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.