SCHEMBL606838

SCHEMBL606838

CC[C@H]1CC[C@H]2[C@@H]3CC=C4CCCC[C@]4(C)[C@H]3CC[C@]12C

nearest known ligand 0.70

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 10/20 0.70
CYP1B1 Q16678 1/20 0.54
CYP17A1 P05093 2/20 0.52
SRD5A1 P18405 1/20 0.52
SRD5A2 P31213 1/20 0.52
TBXAS1 P24557 1/20 0.51
CYP3A4 P08684 1/20 0.51
ESR1 P03372 1/20 0.48
SHBG P04278 1/20 0.48
SERPINA6 P08185 1/20 0.48
AR P10275 1/20 0.48
ESR2 Q92731 1/20 0.48
GRIN1 Q05586 1/20 0.47
GRIN2A Q12879 1/20 0.47
GRIN2B Q13224 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
SCHEMBL5676587 1.00 CYP19A1 (0.70) CYP19A1CYP1B1CYP17A1SRD5A1SRD5A2
SCHEMBL11740332 0.90 CYP19A1 (0.67) CYP19A1CYP1B1CYP17A1SRD5A1SRD5A2
SCHEMBL11054544 0.87 CYP19A1 (0.65) CYP19A1CYP1B1CYP17A1SRD5A1SRD5A2
SCHEMBL26964891 0.87 CYP19A1 (0.69) CYP19A1CYP1B1CYP17A1SRD5A1SRD5A2
SCHEMBL3132563 0.87 CYP19A1 (0.69) CYP19A1CYP1B1CYP17A1SRD5A1SRD5A2
SCHEMBL11054839 0.86 CYP19A1 (0.64) CYP19A1CYP1B1CYP17A1SRD5A1SRD5A2
SCHEMBL514562 0.86 CYP19A1 (0.64) CYP19A1CYP1B1CYP17A1SRD5A1SRD5A2
SCHEMBL3706757 0.86 CYP19A1 (0.67) CYP19A1CYP1B1CYP17A1SRD5A1SRD5A2
SCHEMBL11057900 0.85 CYP19A1 (0.63) CYP19A1CYP1B1CYP17A1SRD5A1SRD5A2
SCHEMBL5489879 0.84 CYP19A1 (0.61) CYP19A1CYP1B1CYP17A1SRD5A1SRD5A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-120025397-A Synthesis method of pregna-5-ene-3,7,20-trione divinyl ketal 台州仙琚药业有限公司 2025-05-23 CN claimed
CN-113583075-B Preparation method of medroxyprogesterone 浙江神洲药业有限公司 2022-05-20 CN claimed
CN-105987978-B Method that is a kind of while measuring 7 kinds of compounds contents in cortex periplocae 石家庄以岭药业股份有限公司 2019-03-05 CN claimed
CN-108239138-A - 16 α of -16 Beta-methyl of 5- pregnenes, -3 β -ol -20- ketone pharmaceutical intermediate synthetic methods of 17 beta epoxide 成都奥卡特科技有限公司 2018-07-03 CN claimed
CN-108239139-A - 16 α of 5- pregnenes, the synthetic method of -3 β -ol -20- ketone pharmaceutical intermediates of 17 α-epoxy 成都奥卡特科技有限公司 2018-07-03 CN claimed
CN-103957998-B Anti-aging composition for skin 荷兰联合利华有限公司 2018-06-12 CN claimed
US-20170360673-A1 HAIR COMPOSITION CONOPCO, INC., D/B/A UNILEVER (US) 2017-12-21 US claimed
CN-107106628-A Hair composition 荷兰联合利华有限公司 2017-08-29 CN claimed
CN-103764151-B CB1 receptor antagonists 国家医疗保健研究所 2017-05-17 CN claimed
CN-106537145-A Small molecule biochemical profiling of individual subjects for disease diagnosis and health assessment 麦特博隆股份有限公司 2017-03-22 CN claimed
EP-3129909-A1 SMALL MOLECULE BIOCHEMICAL PROFILING OF INDIVIDUAL SUBJECTS FOR DISEASE DIAGNOSIS AND HEALTH ASSESSMENT Metabolon, Inc. (US) 2017-02-15 EP claimed
WO-2015157407-A1 SMALL MOLECULE BIOCHEMICAL PROFILING OF INDIVIDUAL SUBJECTS FOR DISEASE DIAGNOSIS AND HEALTH ASSESSMENT METABOLON, INC. (US) 2015-10-15 WO claimed
EP-2109618-A1 NITRIC OXIDE RELEASING STEROIDS Nicox S.A. (FR) 2009-10-21 EP claimed
WO-2008095809-A1 NITRIC OXIDE RELEASING STEROIDS NICOX S.A. (FR) 2008-08-14 WO claimed
EP-1432399-A1 ENHANCING EPIDERMAL BARRIER DEVELOPMENT IN SKIN UNILEVER PLC (GB) 2004-06-30 EP claimed
WO-2003030857-A1 ENHANCING EPIDERMAL BARRIER DEVELOPMENT IN SKIN UNILEVER PLC (GB) 2003-04-17 WO claimed
CN-121851089-A Preparation method of fluocalcitriol intermediate 浙江工业大学 2026-04-14 CN disclosed
US-12312450-B2 Dynamically crosslinkable polymeric compositions, articles, and methods thereof BRASKEM S.A. (BR) 2025-05-27 US disclosed
US-4170518-A Microbiological conversion of sterol derivatives to 5-androsten-17-one derivatives and their use SCHERING AKTIENGESELLSCHAFT (DE) 1979-10-09 US disclosed
US-4013688-A STEROIDS THE UPJOHN COMPANY (US) 1977-03-22 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-20170360673-A1 HAIR COMPOSITION GLS2, GLS, CYP17A1 CYP19A1 351/4885CYP1B1 1135/4885CYP17A1 3/4885

“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.