SCHEMBL769845

SCHEMBL769845

CC(C)(C)CCSc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.61
MAPK1 P28482 1/20 0.61
MTNR1A P48039 1/20 0.44
MTNR1B P49286 1/20 0.44
CYP1A2 P05177 3/20 0.42
CYP2D6 P10635 3/20 0.42
CYP2C19 P33261 3/20 0.42
CYP3A4 P08684 2/20 0.42
CYP2C9 P11712 1/20 0.42
HIF1A Q16665 1/20 0.42
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42
FDPS P14324 3/20 0.41
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
RIPK1 Q13546 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
FFAR1 O14842 1/20 0.40
CASP3 P42574 1/20 0.40
SENP8 Q96LD8 1/20 0.40

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
SCHEMBL9125570 0.83 CA2 (0.57) ALDH1A1MAPK1MTNR1AMTNR1BCYP1A2
SCHEMBL21398351 0.81 ALDH1A1 (0.54) ALDH1A1MAPK1MTNR1AMTNR1BCYP1A2
SCHEMBL21893225 0.80 HPGD (0.50) ALDH1A1MAPK1CYP1A2CYP2C19CYP3A4
SCHEMBL15578081 0.78 MAOA (0.46) ALDH1A1MAPK1MAOAMAOBNPC1
SCHEMBL6912524 0.78 ALDH1A1 (0.50) ALDH1A1MAPK1MTNR1AMTNR1BCYP1A2
SCHEMBL6914649 0.78 ALDH1A1 (0.50) ALDH1A1MAPK1MTNR1AMTNR1BCYP1A2
SCHEMBL6912874 0.78 ALDH1A1 (0.50) ALDH1A1MAPK1MTNR1AMTNR1BCYP1A2
SCHEMBL776637 0.77 ALDH1A1 (0.61) ALDH1A1MAPK1MTNR1AMTNR1BCYP1A2
SCHEMBL776647 0.77 ALDH1A1 (1.00) ALDH1A1MAPK1MTNR1AMTNR1BCYP1A2
SCHEMBL27671343 0.77 ALDH1A1 (0.49) ALDH1A1MAPK1MTNR1AMTNR1BCYP1A2

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-20230041563-A1 N-(1,3,4-OXADIAZOL-2-YL)ARYLCARBOXAMIDES OR SALTS THEREOF, PREPARATION METHODS, HERBICIDAL COMPOSITIONS AND USES THEREOF QINGDAO KINGAGROOT CHEMICAL COMPOUND CO., LTD. (CN) 2023-02-09 US disclosed
US-20160015835-A1 LUCIFERIN DERIVATIVES FROM BICYCLIC REACTANTS AND AMINOTHIOL DERIVATIVES AND METHODS OF USE THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2016-01-21 US disclosed
US-9217921-B2 Resist underlayer film forming composition containing silicon having sulfide bond NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2015-12-22 US disclosed
US-9173966-B2 Luciferin derivatives from bicyclic reactants and aminothiol derivatives and methods of use thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2015-11-03 US disclosed
US-20130287699-A1 Luciferin Derivatives from Bicyclic Reactants and Aminothiol Derivatives and Methods of Use Thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2013-10-31 US disclosed
US-20120070994-A1 RESIST UNDERLAYER FILM FORMING COMPOSITION CONTAINING SILICON HAVING SULFIDE BOND NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2012-03-22 US disclosed
US-7776859-B2 Hexahydroimidazopyrazin-3-one compounds useful as modulators of androgen receptor function BRISTOL-MYERS SQUIBB COMPANY (US) 2010-08-17 US disclosed
US-20070088039-A1 Hexahydroimidazopyrazin-3-one compounds useful as modulators of androgen receptor function BRISTOL-MYERS SQUIBB COMPANY 2007-04-19 US disclosed
US-7176212-B2 2,4-diamino pyrimidine compounds having anti-cell proliferative activity ASTRAZENECA AB (SE) 2007-02-13 US disclosed
US-7176212-B2 2,4-diamino pyrimidine compounds having anti-cell proliferative activity ASTRAZENECA AB (SE) 2007-02-13 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 (5 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-20130287699-A1 Luciferin Derivatives from Bicyclic Reactants and Aminothiol Derivatives and Methods of Use Thereof GFPT1, QPCT, GLB1 ALDH1A1 3234/4885MAPK1 4778/4885MTNR1A 4596/4885
US-20160015835-A1 LUCIFERIN DERIVATIVES FROM BICYCLIC REACTANTS AND AMINOTHIOL DERIVATIVES AND METHODS OF USE THEREOF GFPT1, QPCT, GLB1 ALDH1A1 3234/4885MAPK1 4778/4885MTNR1A 4596/4885
US-20230041563-A1 N-(1,3,4-OXADIAZOL-2-YL)ARYLCARBOXAMIDES OR SALTS THEREOF, PREPARATION METHODS, HERBICIDAL COMPOSITIONS AND USES THEREOF CYP2B6, CBR3, CYP2A6 ALDH1A1 2826/4885MAPK1 2615/4885MTNR1A 564/4885
US-20120070994-A1 RESIST UNDERLAYER FILM FORMING COMPOSITION CONTAINING SILICON HAVING SULFIDE BOND SMC3, SRSF3, SRSF9 ALDH1A1 3278/4885MAPK1 4589/4885MTNR1A 3304/4885
US-20070088039-A1 Hexahydroimidazopyrazin-3-one compounds useful as modulators of androgen receptor function AR, FSHR, NR5A1 ALDH1A1 831/4885MAPK1 2039/4885MTNR1A 215/4885

“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.