SCHEMBL3363558

SCHEMBL3363558

C[C@]12CC[C@H]3[C@@H](CCC4=CC(=NO)CC[C@@]43C)[C@@H]1CC[C@@H]2O

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 11/20 0.70
SHBG P04278 5/20 0.70
LMNA P02545 3/20 0.70
HSD17B10 Q99714 3/20 0.70
AR P10275 3/20 0.70
NR3C1 P04150 2/20 0.70
PGR P06401 2/20 0.70
SERPINA6 P08185 2/20 0.70
CYP3A4 P08684 2/20 0.70
TSHR P16473 2/20 0.70
SNCA P37840 2/20 0.70
CACNA1C Q13936 2/20 0.70
CYP51A1 Q16850 2/20 0.70
GPBAR1 Q8TDU6 2/20 0.70
SIGMAR1 Q99720 2/20 0.70
MAPT P10636 1/20 0.70
MAPK1 P28482 1/20 0.70
OR51E2 Q9H255 1/20 0.70
ESR1 P03372 1/20 0.70
ESR2 Q92731 1/20 0.70

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
SCHEMBL26333875 1.00 CYP19A1 (0.70) CYP19A1SHBGLMNAHSD17B10AR
SCHEMBL12467452 0.84 CYP19A1 (0.62) CYP19A1SHBGLMNAHSD17B10AR
SCHEMBL15661351 0.84 CYP3A4 (0.74) CYP19A1SHBGLMNAHSD17B10AR
SCHEMBL12029018 0.84 CYP3A4 (0.74) CYP19A1SHBGLMNAHSD17B10AR
SCHEMBL21119725 0.84 CYP3A4 (0.74) CYP19A1SHBGLMNAHSD17B10AR
SCHEMBL11139019 0.84 CYP3A4 (0.74) CYP19A1SHBGLMNAHSD17B10AR
SCHEMBL12029019 0.84 CYP3A4 (0.74) CYP19A1SHBGLMNAHSD17B10AR
SCHEMBL7518415 0.83 CYP19A1 (0.64) CYP19A1SHBGLMNAHSD17B10AR
SCHEMBL25117670 0.82 CYP19A1 (0.73) CYP19A1SHBGLMNAHSD17B10AR
Epitestosterone SCHEMBL21957465 0.82 AR (1.00) CYP19A1SHBGLMNAHSD17B10AR

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103272231-A Vaccine for immunizing sheep for producing twins and preparation method thereof LANZHOU INST ANIMAL SCIENCE & VETERINARY PHARMACEUTICS CAAS 2013-09-04 CN disclosed
US-20100009970-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF VIRAL DISEASES COMBINATORX (SINGAPORE) PTE. LTD. (SG) 2010-01-14 US disclosed
CN-101460846-A Method for detecting modulators of membrane androgen receptor (mAR) MEDEXIS S A (GR) 2009-06-17 CN disclosed
US-20090104122-A1 DETECTION OF MEMBRANE ANDROGEN RECEPTOR (mAR) AGENTS MEDEXIS S.A. (GR) 2009-04-23 US disclosed
EP-2008099-A2 DETECTION OF MEMBRANE ANDROGEN RECEPTOR (MAR) AGENTS Medexis S.A. (GR) 2008-12-31 EP disclosed
US-20080161324-A1 Compositions and methods for treatment of viral diseases EXCRX (SINGAPORE) PTE. LTD. (F.K.A. COMBINATORX (SINGAPORE) PTE LTD.) (SG) 2008-07-03 US disclosed
WO-2008033466-A2 COMPOSITIONS AND METHODS FOR TREATMENT OF VIRAL DISEASES COMBINATORX (SINGAPORE) PRE. LTD. (SG) 2008-03-20 WO disclosed
WO-2007123682-A2 DETECTION OF MEMBRANE ANDROGEN RECEPTOR (MAR) AGENTS MEDEXIS S.A. (GR) 2007-11-01 WO disclosed
US-4376825-A ENZYME-BOUND LIGANDS WITH FREE REACTIVE SITES WHICH CAN BIND RECEPTORS SYVA COMPANY (US) 1983-03-15 US disclosed
US-4358435-A Ligand compositions and processes for their manufacture and their use in radioimmunoassay THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 1982-11-09 US disclosed
US-4323647-A IMMOBILIZED ENZYMES SEPARATION UNIVERSITY OF MIAMI (US) 1982-04-06 US disclosed
US-4282325-A FOR AMPLIFICATION IN ASSAYS SYVA COMPANY (US) 1981-08-04 US disclosed
US-4203802-A ENZYME BOUND TO AN ESTROGEN LIGAND SYVA COMPANY (US) 1980-05-20 US disclosed
US-4190496-A RECEPTOR, LIGAND, AND ENZYME-BOUND SYVA COMPANY (US) 1980-02-26 US disclosed
US-4067774-A Compounds for enzyme amplification assay SYVA COMPANY (US) 1978-01-10 US disclosed
US-3975237-A LIGANDS SYVA COMPANY (US) 1976-08-17 US disclosed
US-3968105-A Prolonged release of antifertility drugs IIT RESEARCH INSTITUTE (US) 1976-07-06 US disclosed
US-3966764-A ELECTRON SPIN RESONANCE SYVA COMPANY (US) 1976-06-29 US disclosed
US-3966556-A Compounds for enzyme amplification assay methadone analogs SYVA COMPANY (US) 1976-06-29 US disclosed
US-3966744-A Spin labeled compounds SYVA COMPANY (US) 1976-06-29 US 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-20100009970-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF VIRAL DISEASES HTR1A, HTR3B, HTR3A CYP19A1 1933/4885SHBG 595/4885LMNA 692/4885
US-20080161324-A1 Compositions and methods for treatment of viral diseases HAVCR2, EIF2AK2, RNASE1 CYP19A1 1753/4885SHBG 1022/4885LMNA 624/4885

“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.