SCHEMBL835851

SCHEMBL835851

CCCCCCCCCCCCCCCCCC(=O)OC(F)C(F)F

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.63
MAPT P10636 3/20 0.59
MAPK1 P28482 3/20 0.59
ALDH1A1 P00352 1/20 0.56
DGKA P23743 1/20 0.52
CES2 O00748 1/20 0.52
PRKCA P17252 1/20 0.51
PRKCE Q02156 1/20 0.51
PRKCQ Q04759 1/20 0.51
PRKCD Q05655 1/20 0.51
CYP1A2 P05177 2/20 0.47
MEN1 O00255 1/20 0.47
GMNN O75496 1/20 0.47
HSP90AA1 P07900 1/20 0.47
BLM P54132 1/20 0.47
KMT2A Q03164 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
NR1H4 Q96RI1 1/20 0.47
TP53 P04637 1/20 0.47
CYP2C9 P11712 1/20 0.47

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
SCHEMBL28697337 1.00 LMNA (0.63) LMNAMAPTMAPK1ALDH1A1DGKA
SCHEMBL28120518 1.00 LMNA (0.63) LMNAMAPTMAPK1ALDH1A1DGKA
SCHEMBL28120938 1.00 LMNA (0.63) LMNAMAPTMAPK1ALDH1A1DGKA
SCHEMBL28931646 1.00 LMNA (0.63) LMNAMAPTMAPK1ALDH1A1DGKA
SCHEMBL6898365 1.00 LMNA (0.63) LMNAMAPTMAPK1ALDH1A1DGKA
SCHEMBL28120517 1.00 LMNA (0.63) LMNAMAPTMAPK1ALDH1A1DGKA
SCHEMBL8062967 0.98 LMNA (0.60) LMNAMAPTMAPK1ALDH1A1DGKA
SCHEMBL67893 0.84 ALDH1A1 (0.48) LMNAMAPTMAPK1ALDH1A1CES2
SCHEMBL706084 0.82 LMNA (0.71) LMNAMAPTMAPK1ALDH1A1DGKA
SCHEMBL12019085 0.80 LMNA (0.58) LMNAMAPTMAPK1ALDH1A1DGKA

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 20 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
CN-102383306-B Fluorine-containing modified vegetable oil polymer water-repellent finishing agent, and preparation and application thereof UNIV DONGHUA 2014-01-08 CN 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
CN-102383306-A Fluorine-containing modified vegetable oil polymer water-repellent finishing agent, and preparation and application thereof UNIV DONGHUA 2012-03-21 CN disclosed
CN-101608402-B Vegetable oil modified fluoride-containing water repellent finishing agent as well as preparation method and application thereof UNIV DONGHUA 2011-07-27 CN disclosed
CN-101608402-A Vegetable oil modified fluoride-containing water repellent finishing agent, preparation method and application thereof UNIV DONGHUA (CN) 2009-12-23 CN disclosed
US-20090264396-A1 17Alpha, 21-Dihydroxypregnene esters as antiandrogenic agents COSMO SPA (IT) 2009-10-22 US disclosed
CN-1246328-C 17 alfa, 21-dihydroxypregnene esters as antiandrogenic agents COSMO SPA (IT) 2006-03-22 CN 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
CN-1541220-A 17 alpha, 21-dihydroxypregnene esters as antiandrogens �������˹��ĭ�ۺ���ɷ����޹�˾ 2004-10-27 CN 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 LMNA 862/4885MAPT 4721/4885MAPK1 2171/4885
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 LMNA 2052/4885MAPT 3186/4885MAPK1 2321/4885
US-20140154306-A1 17ALFA, 21-DIHYDROXYPREGNENE ESTERS AS ANTIANDROGENIC AGENTS NR5A1, CYP17A1, HSD17B11 LMNA 935/4885MAPT 4392/4885MAPK1 1423/4885
US-20090264396-A1 17Alpha, 21-Dihydroxypregnene esters as antiandrogenic agents HSD17B11, NR5A1, CYP17A1 LMNA 1518/4885MAPT 4630/4885MAPK1 1029/4885
US-20150216878-A1 17 Alpha, 21-Dihydroxypregnene Esters as Antiandrogenic Agents HSD17B11, CYP17A1, NR5A1 LMNA 1373/4885MAPT 4625/4885MAPK1 1136/4885
US-20120149671-A1 17ALPHA, 21-DIHYDROXYPREGNENE ESTERS AS ANTIANDROGENIC AGENTS HSD17B11, NR5A1, CYP17A1 LMNA 1485/4885MAPT 4620/4885MAPK1 1030/4885

“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.