SCHEMBL396122

SCHEMBL396122

Cc1ccc(O)c(C2C3CC4CC(C3)CC2C4)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 2/20 0.42
HSD17B10 Q99714 2/20 0.42
ALDH1A1 P00352 1/20 0.42
TRPA1 O75762 1/20 0.42
TP53 P04637 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
MEN1 O00255 3/20 0.37
GAA P10253 3/20 0.37
KMT2A Q03164 3/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
ALOX12 P18054 1/20 0.37
SCN9A Q15858 2/20 0.36
CHRNB2 P17787 1/20 0.36
CHRNA4 P43681 1/20 0.36
CSNK2A1 P68400 1/20 0.35
HTR2B P41595 2/20 0.33
POLB P06746 2/20 0.33
HTR2A P28223 1/20 0.33

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
SCHEMBL26608153 0.86 CYP2A6 (0.37) ALOX15HSD17B10ALDH1A1TRPA1TP53
SCHEMBL16046506 0.81 CHRNB2 (0.38) ALOX15HSD17B10ALDH1A1MEN1GAA
SCHEMBL22321085 0.80 MEN1 (0.41) MEN1GAAKMT2ASCN9APOLB
SCHEMBL8796193 0.79 CXCR3 (0.36) TP53MEN1GAAKMT2ASCN9A
SCHEMBL403754 0.79 ALOX15 (0.41) ALOX15ALDH1A1MEN1GAAKMT2A
SCHEMBL3846964 0.78 ALDH1A1 (0.47) ALOX15HSD17B10ALDH1A1TDP1MEN1
SCHEMBL26608155 0.78 RARG (0.46) HSD17B10ALDH1A1TP53LMNASCN9A
SCHEMBL4614199 0.77 SCN9A (0.35) MEN1GAAKMT2ASCN9APOLB
SCHEMBL436183 0.74 CYP3A4 (0.34) SCN9A
SCHEMBL345589 0.73 HTR2A (0.42) ALOX15HSD17B10ALDH1A1TDP1MEN1

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 85 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107501099-B Modulators of ATP-binding cassette transporters 沃泰克斯药物股份有限公司 2021-03-19 CN disclosed
EP-3705477-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS Vertex Pharmaceuticals Incorporated (US) 2020-09-09 EP disclosed
US-10662192-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2020-05-26 US disclosed
EP-3216787-B1 INTERMEDIATES FOR THE PREPARATION OF MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMA (US) 2020-02-19 EP disclosed
US-20190144450-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2019-05-16 US disclosed
EP-2847314-B1 BLEACHING LAUNDRY DETERGENT OR CLEANER HENKEL AG & CO KGAA (DE) 2018-01-31 EP disclosed
EP-3216787-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS Vertex Pharmaceuticals Incorporated (US) 2017-09-13 EP disclosed
EP-2502911-B1 Modulators of ATP-binding cassette transporters VERTEX PHARMA (US) 2017-04-05 EP disclosed
US-20160318931-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2016-11-03 US disclosed
CN-103641765-B ATP-combines the adjusting control agent of cassette transporters 沃泰克斯药物股份有限公司 2016-08-17 CN disclosed
WO-2007075946-A1 COMPOUNDS USEFUL IN CFTR ASSAYS AND METHODS THEREWITH VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-07-05 WO disclosed
WO-2007057422-A1 PROCESS FOR PREPARING POLYHYDROXYALKANOATES, POLYMERS THUS OBTAINED, COMPOSITIONS COMPRISING SAME AND USE THEREOF ARKEMA FRANCE (FR) 2007-05-24 WO disclosed
EP-1773816-A2 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS Vertex Pharmaceuticals Incorporated (US) 2007-04-18 EP disclosed
US-20060074075-A1 including cystic fibrosis transmembrane conductance regulator (\"CFTR\"), used for treating genetic disorders; respiratory system disorders VERTEX PHARMACEUTICALS INCORPORATED 2006-04-06 US disclosed
WO-2006002421-A2 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2006-01-05 WO disclosed
US-6369223-B2 USING CATALYST COMPLEX PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2002-04-09 US disclosed
US-20020004602-A1 Asymmetric cycloaddition reactions JACOBSEN ERIC N (US) 2002-01-10 US disclosed
US-6211370-B1 REACTING A DIENOPHILE WITH A 1,3-DIENE HARVARD UNIVERSITY 2001-04-03 US disclosed
WO-2000050365-A1 ASYMMETRIC CYCLOADDITION REACTIONS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2000-08-31 WO disclosed
WO-1999036375-A1 ASYMMETRIC CYCLOADDITION REACTIONS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 1999-07-22 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 (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-20190144450-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 ALOX15 3173/4885HSD17B10 1468/4885ALDH1A1 2165/4885
US-10662192-B2 Modulators of ATP-binding cassette transporters CFTR, ABCB1, ABCC2 ALOX15 3173/4885HSD17B10 1468/4885ALDH1A1 2165/4885
US-20020004602-A1 Asymmetric cycloaddition reactions PAPSS1, SPR, CMKLR1 ALOX15 500/4885HSD17B10 1896/4885ALDH1A1 1737/4885
US-20160318931-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 ALOX15 3173/4885HSD17B10 1468/4885ALDH1A1 2165/4885
US-20060074075-A1 including cystic fibrosis transmembrane conductance regulator (\"CFTR\"), used for treating genetic disorders; respiratory system disorders CFTR, ABCC4, ABCC2 ALOX15 3245/4885HSD17B10 1602/4885ALDH1A1 2221/4885

“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.