SCHEMBL9894463

SCHEMBL9894463

O=C(OCCNS(=O)(=O)C(F)(F)F)C12CC3CC(CC(C3)C1)C2.c1ccc([S+](c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.44
ALDH1A1 P00352 8/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
GAA P10253 2/20 0.41
KMT2A Q03164 1/20 0.39
LMNA P02545 1/20 0.38
CYP17A1 P05093 2/20 0.37
CYP19A1 P11511 2/20 0.37
KDM4E B2RXH2 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
POLB P06746 1/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
HPGD P15428 1/20 0.36
MAPT P10636 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL9893796 0.87 ALDH1A1 (0.43) RECQLALDH1A1SMN1; SMN2GAAKMT2A
SCHEMBL9924177 0.80 ALDH1A1 (0.42) RECQLALDH1A1SMN1; SMN2KMT2ACYP17A1
SCHEMBL2887913 0.78 ALDH1A1 (0.40) RECQLALDH1A1SMN1; SMN2GAAKMT2A
SCHEMBL3454497 0.78 ALDH1A1 (0.45) RECQLALDH1A1SMN1; SMN2GAAKMT2A
SCHEMBL9946445 0.78 EPHX1 (0.42) RECQLALDH1A1SMN1; SMN2KMT2ACYP17A1
SCHEMBL19261615 0.78 EPHX1 (0.42) RECQLALDH1A1SMN1; SMN2KMT2ACYP17A1
SCHEMBL9925523 0.78 EPHX1 (0.42) RECQLALDH1A1SMN1; SMN2KMT2ACYP17A1
SCHEMBL544306 0.78 ALDH1A1 (0.43) RECQLALDH1A1SMN1; SMN2GAAKMT2A
SCHEMBL3454541 0.76 ALDH1A1 (0.43) RECQLALDH1A1SMN1; SMN2GAAKMT2A
SCHEMBL515758 0.76 ALDH1A1 (0.39) RECQLALDH1A1SMN1; SMN2GAAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9494860-B2 Resist composition, method of forming resist pattern TOKYO OHKA KOGYO CO., LTD. (JP) 2016-11-15 US disclosed
US-9164380-B2 Resist composition and method of forming resist pattern TOKYO OHKA KOGYO CO., LTD. (JP) 2015-10-20 US disclosed
US-9005872-B2 Resist composition and method of forming resist pattern TOKYO OHKA KOGYO CO., LTD. (JP) 2015-04-14 US disclosed
US-8614049-B2 Resist composition and method of forming resist pattern TOKYO OHKA KOGYO CO., LTD. (JP) 2013-12-24 US disclosed
US-8497395-B2 Compound TOKYO OHKA KOGYO CO., LTD. (JP) 2013-07-30 US disclosed
US-20130189619-A1 RESIST COMPOSITION AND METHOD OF FORMING RESIST PATTERN TOKYO OHKA KOGYO CO., LTD. (JP) 2013-07-25 US disclosed
US-20120214101-A1 RESIST COMPOSITION AND METHOD OF FORMING RESIST PATTERN TOKYO OHKA KOGYO CO., LTD. (JP) 2012-08-23 US disclosed
US-20120164578-A1 RESIST COMPOSITION, METHOD OF FORMING RESIST PATTERN TOKYO OHKA KOGYO CO., LTD. (JP) 2012-06-28 US disclosed
US-20120148956-A1 RESIST COMPOSITION AND METHOD OF FORMING RESIST PATTERN TOKYO OHKA KOGYO CO., LTD. (JP) 2012-06-14 US disclosed
US-20120149916-A1 NOVEL COMPOUND CENTRAL GLASS CO., LTD. (JP) 2012-06-14 US 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 (1 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-20120149916-A1 NOVEL COMPOUND MRPL11, ABCB7, MRPL21 RECQL 4226/4885ALDH1A1 1340/4885SMN1; SMN2 3545/4885

“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.