SCHEMBL4956398

SCHEMBL4956398

FCC(F)(F)C(F)(F)n1ccnc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 5/20 0.39
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 1/20 0.37
CYP17A1 P05093 3/20 0.35
TBXAS1 P24557 4/20 0.33
NR1I2 O75469 2/20 0.30
ADORA3 P0DMS8 2/20 0.30
TBXA2R P21731 2/20 0.30
CCKBR P32239 2/20 0.30
OPRK1 P41145 2/20 0.30
SLC6A3 Q01959 2/20 0.30
KCNH2 Q12809 2/20 0.30
NR1H4 Q96RI1 2/20 0.30
MLNR O43193 1/20 0.30
MEN1 O00255 2/20 0.30
LMNA P02545 2/20 0.30
CYP1A2 P05177 2/20 0.30
CYP3A4 P08684 2/20 0.30
CYP2D6 P10635 2/20 0.30
MAPT P10636 2/20 0.30

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
SCHEMBL28333497 0.82 CYP17A1 (0.44) CYP19A1CYP11B1CYP11B2CYP17A1TBXAS1
SCHEMBL20714284 0.78 CYP19A1 (0.41) CYP19A1CYP11B1CYP11B2CYP17A1TBXAS1
SCHEMBL19241941 0.78 CYP19A1 (0.41) CYP19A1CYP11B1CYP11B2CYP17A1TBXAS1
SCHEMBL427775 0.78 CYP11B1 (0.47) CYP19A1CYP11B1CYP11B2CYP17A1TBXAS1
SCHEMBL19229972 0.76 CYP19A1 (0.42) CYP19A1CYP11B1CYP11B2CYP17A1TBXAS1
SCHEMBL19229977 0.74 CYP17A1 (0.43) CYP19A1CYP11B1CYP11B2CYP17A1TBXAS1
SCHEMBL427342 0.74 CYP19A1 (0.41) CYP19A1CYP11B1CYP11B2CYP17A1TBXAS1
SCHEMBL4461862 0.72 CYP19A1 (0.40) CYP19A1CYP11B1CYP11B2CYP17A1TBXAS1
SCHEMBL420876 0.72
SCHEMBL1219428 0.71 CYP19A1 (0.39) CYP19A1CYP11B1CYP11B2CYP17A1TBXAS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7435713-B2 Compositions and methods for removal of incidental soils from fabric articles via soil modification THE PROCTER & GAMBLE COMPANY (US) 2008-10-14 US disclosed
EP-1451403-B1 COMPOSITIONS AND METHODS FOR REMOVAL OF INCIDENTAL SOILS FROM FABRIC ARTICLES VIA SOIL MODIFICATION PROCTER & GAMBLE (US) 2006-10-04 EP disclosed
US-7105637-B2 Dehydro-estriol (8-DHE3) and dehydro-pregnanetriol (7-DHPT), methods of their synthesis WILLIAM MARSH RICE UNIVERSITY (US) 2006-09-12 US disclosed
US-20050137108-A1 Compositions and methods for removal of incidental soils from fabric articles via soil modification THE PROCTER & GAMBLE COMPANY 2005-06-23 US disclosed
US-6890892-B2 Compositions and methods for removal of incidental soils from fabric articles via soil modification PROCTER & GAMBLE COMPANY (US) 2005-05-10 US disclosed
EP-1451403-A1 COMPOSITIONS AND METHODS FOR REMOVAL OF INCIDENTAL SOILS FROM FABRIC ARTICLES VIA SOIL MODIFICATION THE PROCTER & GAMBLE COMPANY (US) 2004-09-01 EP disclosed
US-20030220314-A1 Dehydro-estriol (8-DHE3) and dehydro-pregnanetriol (7-DHPT), and methods of their synthesis NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2003-11-27 US disclosed
US-20030119711-A1 Compositions and methods for removal of incidental soils from fabric articles via soil modification PROCTOR & GAMBLE COMPANY, THE 2003-06-26 US disclosed
WO-2003050344-A1 COMPOSITIONS AND METHODS FOR REMOVAL OF INCIDENTAL SOILS FROM FABRIC ARTICLES VIA SOIL MODIFICATION THE PROCTER & GAMBLE COMPANY (US) 2003-06-19 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 (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-20030220314-A1 Dehydro-estriol (8-DHE3) and dehydro-pregnanetriol (7-DHPT), and methods of their synthesis HSD17B3, HSD17B13, HSD17B11 CYP19A1 79/4885CYP11B1 26/4885CYP11B2 21/4885

“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.