SCHEMBL3366869

SCHEMBL3366869

C[C@]12CCC(=O)C=C1C1(CC1)C[C@@H]1[C@@H]2CC[C@]2(C)C(O)CC[C@@H]12

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 10/20 0.65
SHBG P04278 6/20 0.65
AR P10275 5/20 0.65
LMNA P02545 3/20 0.65
HSD17B10 Q99714 3/20 0.65
CYP3A4 P08684 3/20 0.65
SERPINA6 P08185 3/20 0.65
NR3C1 P04150 2/20 0.65
PGR P06401 2/20 0.65
TSHR P16473 2/20 0.65
SNCA P37840 2/20 0.65
CACNA1C Q13936 2/20 0.65
CYP51A1 Q16850 2/20 0.65
GPBAR1 Q8TDU6 2/20 0.65
SIGMAR1 Q99720 2/20 0.65
MAPT P10636 1/20 0.65
MAPK1 P28482 1/20 0.65
OR51E2 Q9H255 1/20 0.65
ESR2 Q92731 2/20 0.51
SLC22A1 O15245 1/20 0.50

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
SCHEMBL13994339 0.86 CYP3A4 (0.47) CYP19A1SHBGARLMNAHSD17B10
SCHEMBL13046030 0.83 SRD5A2 (0.50) CYP19A1SHBGARLMNAHSD17B10
SCHEMBL3744539 0.83 SRD5A2 (0.50) CYP19A1SHBGARLMNAHSD17B10
SCHEMBL9544639 0.80 SHBG (0.65) SHBGARLMNAHSD17B10CYP3A4
Epitestosterone SCHEMBL11588466 0.79 AR (1.00) CYP19A1SHBGARLMNAHSD17B10
Epitestosterone SCHEMBL16305625 0.79 AR (1.00) CYP19A1SHBGARLMNAHSD17B10
Epitestosterone SCHEMBL2678780 0.79 AR (1.00) CYP19A1SHBGARLMNAHSD17B10
Epitestosterone SCHEMBL21957465 0.79 AR (1.00) CYP19A1SHBGARLMNAHSD17B10
Epitestosterone SCHEMBL22704809 0.79 AR (1.00) CYP19A1SHBGARLMNAHSD17B10
Epitestosterone SCHEMBL13752937 0.79 AR (1.00) CYP19A1SHBGARLMNAHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100009970-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF VIRAL DISEASES COMBINATORX (SINGAPORE) PTE. LTD. (SG) 2010-01-14 US 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

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 595/4885AR 2298/4885
US-20080161324-A1 Compositions and methods for treatment of viral diseases HAVCR2, EIF2AK2, RNASE1 CYP19A1 1753/4885SHBG 1022/4885AR 3387/4885

“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.