SCHEMBL9255515

SCHEMBL9255515

C=C1C[C@H]2[C@@H]3CCC[C@@]3(C)CC[C@@H]2[C@@]2(C)C=CC(=O)C=C12

nearest known ligand 0.69

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 14/20 0.69
KDM4E B2RXH2 1/20 0.69
ALDH1A1 P00352 1/20 0.69
ABCB11 O95342 1/20 0.69
NR3C1 P04150 1/20 0.69
PGR P06401 1/20 0.69
HTR2A P28223 1/20 0.69
OPRK1 P41145 1/20 0.69
HTR2B P41595 1/20 0.69
GUSB P08236 1/20 0.51
MBOAT4 Q96T53 2/20 0.40
CYP3A4 P08684 1/20 0.40
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39

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
SCHEMBL13817790 1.00 CYP19A1 (0.69) CYP19A1KDM4EALDH1A1ABCB11NR3C1
SCHEMBL6245812 0.83 CYP19A1 (0.58) CYP19A1KDM4EALDH1A1ABCB11NR3C1
SCHEMBL11980206 0.82 CYP19A1 (0.84) CYP19A1KDM4EALDH1A1ABCB11NR3C1
SCHEMBL6245546 0.82 CYP19A1 (0.63) CYP19A1KDM4EALDH1A1ABCB11NR3C1
SCHEMBL8980330 0.82 CYP19A1 (0.68) CYP19A1KDM4EALDH1A1ABCB11NR3C1
Exemestane SCHEMBL1781618 0.81 CYP19A1 (1.00) CYP19A1KDM4EALDH1A1ABCB11NR3C1
Exemestane SCHEMBL2233503 0.81 CYP19A1 (1.00) CYP19A1KDM4EALDH1A1ABCB11NR3C1
Exemestane SCHEMBL172893 0.81 CYP19A1 (1.00) CYP19A1KDM4EALDH1A1ABCB11NR3C1
Exemestane SCHEMBL6215 0.81 CYP19A1 (1.00) CYP19A1KDM4EALDH1A1ABCB11NR3C1
Exemestane SCHEMBL21698489 0.81 CYP19A1 (1.00) CYP19A1KDM4EALDH1A1ABCB11NR3C1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0620823-A1 6,7$g(a)-DIFLUOROMETHYLENANDROSTA-1,4-DIEN-3-ONE DERIVATIVES AND PROCESS FOR THEIR PREPARATION PHARMACIA & UPJOHN S.p.A. (IT) 1994-10-26 EP claimed
WO-1994010190-A1 6,7α-DIFLUOROMETHYLENANDROSTA-1,4-DIEN-3-ONE DERIVATIVES AND PROCESS FOR THEIR PREPARATION FARMITALIA CARLO ERBA S.R.L. (IT) 1994-05-11 WO claimed
EP-2556082-B1 SUBSTITUTED ANDROST-4-ENE DIONES UNIV EMORY (US) 2017-02-22 EP disclosed
US-20150148321-A1 SUBSTITUTED ANDROST-4-ENE DIONES NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-05-28 US disclosed
US-8969327-B2 Substituted androst-4-ene diones EMORY UNIVERSITY (US) 2015-03-03 US disclosed
US-20130157988-A1 SUBSTITUTED ANDROST-4-ENE DIONES EMORY UNIVERSITY (US) 2013-06-20 US disclosed
EP-0656901-A1 FLUORINATED 6-METHYLENANDROSTA-1,4-DIEN-3-ONE DERIVATIVES AND PROCESS FOR THEIR PREPARATION PHARMACIA & UPJOHN S.p.A. (IT) 1995-06-14 EP disclosed
WO-1995001366-A1 FLUORINATED 6-METHYLENANDROSTA-1,4-DIEN-3-ONE DERIVATIVES AND PROCESS FOR THEIR PREPARATION PHARMACIA S.P.A. (IT) 1995-01-12 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 (2 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-20130157988-A1 SUBSTITUTED ANDROST-4-ENE DIONES HSD17B11, AR, NR5A1 CYP19A1 5/4885KDM4E 2222/4885ALDH1A1 756/4885
US-20150148321-A1 SUBSTITUTED ANDROST-4-ENE DIONES HSD17B11, AR, NR5A1 CYP19A1 5/4885KDM4E 2222/4885ALDH1A1 756/4885

“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.