SCHEMBL6839455

SCHEMBL6839455

C[C@]12CCCCC1CC[C@@H]1[C@H]2C(O)C[C@]2(C)C(=O)CC[C@@H]12

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 7/20 0.64
HSD17B3 P37058 5/20 0.52
GPBAR1 Q8TDU6 4/20 0.48
LMNA P02545 3/20 0.48
CYP3A4 P08684 3/20 0.48
SHBG P04278 2/20 0.48
SERPINA6 P08185 2/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
AKR1B10 O60218 2/20 0.48
AKR1B1 P15121 2/20 0.48
MAPK1 P28482 1/20 0.48
PMP22 Q01453 1/20 0.48
G6PD P11413 1/20 0.48
CYP2D6 P10635 1/20 0.48
TSHR P16473 1/20 0.48
NFKB1 P19838 1/20 0.48
CYP2C19 P33261 1/20 0.48
OR51E2 Q9H255 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
SCHEMBL6839452 1.00 CYP19A1 (0.64) CYP19A1HSD17B3GPBAR1LMNACYP3A4
SCHEMBL16002211 0.86 CYP19A1 (0.49) CYP19A1HSD17B3GPBAR1LMNACYP3A4
SCHEMBL4890316 0.84 GPBAR1 (0.70) CYP19A1HSD17B3GPBAR1LMNACYP3A4
SCHEMBL1799883 0.84 GPBAR1 (0.70) CYP19A1HSD17B3GPBAR1LMNACYP3A4
SCHEMBL6943587 0.84 AKR1B10 (0.65) CYP19A1HSD17B3GPBAR1LMNACYP3A4
SCHEMBL20058395 0.84 GPBAR1 (0.70) CYP19A1HSD17B3GPBAR1LMNACYP3A4
SCHEMBL6938662 0.84 GPBAR1 (0.70) CYP19A1HSD17B3GPBAR1LMNACYP3A4
SCHEMBL15463390 0.84 GPBAR1 (0.70) CYP19A1HSD17B3GPBAR1LMNACYP3A4
SCHEMBL6940263 0.84 AKR1B10 (0.65) CYP19A1HSD17B3GPBAR1LMNACYP3A4
SCHEMBL3362889 0.84 GPBAR1 (0.70) CYP19A1HSD17B3GPBAR1LMNACYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040034003-A1 7-Hydroxy-16alpha-fluoro-5-androsten-17-ones and 7-hydroxy-16alpha-fluoro-5-androstan-17-ones and derivatives thereof BIOVIE INC. 2004-02-19 US disclosed
US-5804576-A CANCER PREVENTIVE AGENTS, ANTI-OBESITY AGENTS, TREATMENT OF DIABETES RESEARCH CORPORATION TECHNOLOGIES, INC. (US) 1998-09-08 US disclosed
US-5714481-A ADMINISTERING TO MAMMALIAN HOST A GLUCOSE-6-PHSOPHATE DEHYDROGENASE INHIBITOR, ANTICARCINOGENIC, ANTIOBASITY, ANTI-HYPERGLYCEMIC, ANTIAGING, ANTICHOLESTEROL AND ANTI-AUTOIMMUNE AGENT RESEARCH CORPORATION TECHNOLOGIES, INC. (US) 1998-02-03 US disclosed
US-5373095-A Steroid compounds THE UPJOHN COMPANY (US) 1994-12-13 US disclosed
US-5334712-A Estrane or androstane pyridinyl alkyl or alkylphenyl amine steroids for antidiabetes and obesity THE UPJOHN COMPANY (US) 1994-08-02 US disclosed
US-5274089-A A estra-1,3,5(10)-triene derivative THE UPJOHN COMPANY (US) 1993-12-28 US disclosed
US-5196542-A Phospholipase A2 inhibitors THE UPJOHN COMPANY (US) 1993-03-23 US disclosed
US-5187299-A Phospholipase inhibitors; treating diabetes, obesity THE UPJOHN COMPANY (US) 1993-02-16 US disclosed
US-5145874-A Phospholipase inhibitor, hypoglycemic agent, antidiabetic, obesity THE UPJOHN COMPANY (US) 1992-09-08 US disclosed
US-5028631-A Anticancer, antiobesity, anticholesterol NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 1991-07-02 US disclosed
US-5001119-A 16-substituted androstanes and 16-substituted androstenes NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 1991-03-19 US disclosed
US-4917826-A TREATING DIABETES AND OBESITY THE UPJOHN COMPANY (US) 1990-04-17 US disclosed
US-4898694-A 17-Hydroxy-steroids NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 1990-02-06 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 (1 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-20040034003-A1 7-Hydroxy-16alpha-fluoro-5-androsten-17-ones and 7-hydroxy-16alpha-fluoro-5-androstan-17-ones and derivatives thereof HSD17B11, CYP17A1, NR5A1 CYP19A1 6/4885HSD17B3 10/4885GPBAR1 149/4885

“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.