SCHEMBL4956409

SCHEMBL4956409

FC(F)(F)CC(F)(F)c1ncc[nH]1

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.38
TAAR1 Q96RJ0 2/20 0.36
ALDH1A1 P00352 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ALOX15 P16050 1/20 0.31
FDPS P14324 1/20 0.31

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
SCHEMBL394747 0.77
Lithium SCHEMBL29579035 0.75 CYP19A1 (0.41) CYP19A1TAAR1ALDH1A1SMN1; SMN2ALOX15
SCHEMBL25335684 0.75 CYP19A1 (0.41) CYP19A1TAAR1ALDH1A1SMN1; SMN2ALOX15
SCHEMBL27893639 0.73 CYP19A1 (0.40) CYP19A1TAAR1ALDH1A1SMN1; SMN2
SCHEMBL28036621 0.73 CYP19A1 (0.40) CYP19A1TAAR1ALDH1A1SMN1; SMN2
SCHEMBL4956403 0.71 CYP19A1 (0.36) CYP19A1TAAR1ALDH1A1SMN1; SMN2
SCHEMBL27726056 0.70 CYP19A1 (0.38) CYP19A1TAAR1ALDH1A1SMN1; SMN2
SCHEMBL27536537 0.69
SCHEMBL24050934 0.68 ALDH1A1 (0.38) CYP19A1TAAR1ALDH1A1SMN1; SMN2
SCHEMBL67017 0.67

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 79/4885TAAR1 4867/4885ALDH1A1 1186/4885

“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.