SCHEMBL835849

SCHEMBL835849

CCCCCCCCCCCCCCCCCC(=O)OC(F)(F)CF

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FAAH O00519 8/20 0.50
CES1 P23141 7/20 0.50
CES2 O00748 4/20 0.50
DGKA P23743 1/20 0.50
MEN1 O00255 1/20 0.50
CYP1A2 P05177 1/20 0.50
KMT2A Q03164 1/20 0.50
HSD17B10 Q99714 1/20 0.50
TSHR P16473 1/20 0.47
LMNA P02545 2/20 0.47
PAM P19021 2/20 0.46
MAPT P10636 1/20 0.44
MAPK1 P28482 1/20 0.44

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
SCHEMBL6898362 1.00 FAAH (0.50) FAAHCES1CES2DGKAMEN1
SCHEMBL8062961 0.98 FAAH (0.48) FAAHCES1CES2DGKAMEN1
SCHEMBL67891 0.84 ALDH1A1 (0.46) FAAHCES1CES2MEN1CYP1A2
SCHEMBL7593373 0.82 FAAH (0.55) FAAHCES1CES2DGKAMEN1
SCHEMBL27429395 0.82 FAAH (0.55) FAAHCES1CES2DGKAMEN1
SCHEMBL28767623 0.81 FAAH (0.53) FAAHCES1CES2DGKAMEN1
SCHEMBL1216447 0.80 FAAH (0.54) FAAHCES1CES2DGKAMEN1
SCHEMBL28311100 0.79 FAAH (0.52) FAAHCES1CES2DGKAMEN1
SCHEMBL2334337 0.79 ALDH1A1 (0.56) FAAHCES1HSD17B10TSHRLMNA
SCHEMBL28794167 0.79 DGKA (0.55) CES1CES2DGKAMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9895379-B2 17alpha, 21-dihydroxypregnene esters as antiandrogenic agents CASSIOPEA S.P.A. (IT) 2018-02-20 US disclosed
US-20160263127-A1 17 Alpha, 21-Dihydroxypregnene Esters as Antiandrogenic Agents COSMO DERMATOS SRL. (IT) 2016-09-15 US disclosed
US-9211295-B2 17 alpha, 21-dihydroxypregnene esters as antiandrogenic agents CASSIOPEA S.P.A. (IT) 2015-12-15 US disclosed
US-20150216878-A1 17 Alpha, 21-Dihydroxypregnene Esters as Antiandrogenic Agents CASSIOPEA S.P.A. (IT) 2015-08-06 US disclosed
US-8865690-B2 17alfa, 21-dihydroxypregnene esters as antiandrogenic agents COSMO DERMATOS SRL (IT) 2014-10-21 US disclosed
US-20140154306-A1 17ALFA, 21-DIHYDROXYPREGNENE ESTERS AS ANTIANDROGENIC AGENTS COSMO S.P.A. (IT) 2014-06-05 US disclosed
US-20120149671-A1 17ALPHA, 21-DIHYDROXYPREGNENE ESTERS AS ANTIANDROGENIC AGENTS COSMO SPA, (IT) 2012-06-14 US disclosed
US-8143240-B2 17α, 21-dihydroxypregnene esters as antiandrogenic agents COSMO S.P.A. (IT) 2012-03-27 US disclosed
US-20090264396-A1 17Alpha, 21-Dihydroxypregnene esters as antiandrogenic agents COSMO SPA (IT) 2009-10-22 US disclosed
EP-1421099-B1 17ALFA, 21-DIHYDROXYPREGNENE ESTERS AS ANTIANDROGENIC AGENTS COSMO SPA (IT) 2005-02-16 EP disclosed
US-20050026889-A1 Treating acne, seborrhea, hirsutism, alopecia, mastodynia, prostate hyperplasia and carcinoma, virilization syndromes in the female, early puberty, use in inhibition of sexual aggressiveness in the male, male contraception COSMO SPA. (IT) 2005-02-03 US disclosed
EP-1421099-A1 17ALFA, 21-DIHYDROXYPREGNENE ESTERS AS ANTIANDROGENIC AGENTS Cosmo S.p.A. (IT) 2004-05-26 EP disclosed
WO-2003014141-A1 17ALFA, 21-DIHYDROXYPREGNENE ESTERS AS ANTIANDROGENIC AGENTS COSMO S.P.A. (IT) 2003-02-20 WO disclosed
WO-1994019309-A1 A NOVEL METHOD FOR THE PREPARATION OF OPTICALLY ACTIVE COMPOUNDS AS WELL AS NOVEL END PRODUCTS MAEENSIVU EIJA (FI) 1994-09-01 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 (6 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-20160263127-A1 17 Alpha, 21-Dihydroxypregnene Esters as Antiandrogenic Agents HSD17B11, CYP17A1, NR5A1 FAAH 3235/4885CES1 127/4885CES2 1084/4885
US-20050026889-A1 Treating acne, seborrhea, hirsutism, alopecia, mastodynia, prostate hyperplasia and carcinoma, virilization syndromes in the female, early puberty, use in inhibition of sexual aggressiveness in the male, male contraception CYP17A1, CYP19A1, HSD17B3 FAAH 406/4885CES1 645/4885CES2 1340/4885
US-20140154306-A1 17ALFA, 21-DIHYDROXYPREGNENE ESTERS AS ANTIANDROGENIC AGENTS NR5A1, CYP17A1, HSD17B11 FAAH 3236/4885CES1 220/4885CES2 1844/4885
US-20090264396-A1 17Alpha, 21-Dihydroxypregnene esters as antiandrogenic agents HSD17B11, NR5A1, CYP17A1 FAAH 3153/4885CES1 160/4885CES2 1910/4885
US-20150216878-A1 17 Alpha, 21-Dihydroxypregnene Esters as Antiandrogenic Agents HSD17B11, CYP17A1, NR5A1 FAAH 3213/4885CES1 156/4885CES2 1854/4885
US-20120149671-A1 17ALPHA, 21-DIHYDROXYPREGNENE ESTERS AS ANTIANDROGENIC AGENTS HSD17B11, NR5A1, CYP17A1 FAAH 3148/4885CES1 158/4885CES2 1931/4885

“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.