SCHEMBL1649014

SCHEMBL1649014

C[C@@]12C=CC[C@H]1[C@@H]1CC=C3CC(O)CC[C@]3(C)[C@H]1CC2

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SHBG P04278 5/20 0.63
G6PD P11413 4/20 0.63
SERPINA6 P08185 3/20 0.63
LMNA P02545 2/20 0.63
ESR1 P03372 1/20 0.63
AR P10275 1/20 0.63
ESR2 Q92731 1/20 0.63
MEN1 O00255 1/20 0.63
GUSB P08236 1/20 0.63
CYP3A4 P08684 1/20 0.63
PMP22 Q01453 1/20 0.63
KMT2A Q03164 1/20 0.63
GPBAR1 Q8TDU6 1/20 0.63
TSHR P16473 1/20 0.63
CYP17A1 P05093 10/20 0.59
TBXAS1 P24557 1/20 0.59
SRD5A2 P31213 1/20 0.59

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
SCHEMBL941737 1.00 SHBG (0.63) SHBGG6PDSERPINA6LMNAESR1
SCHEMBL5308289 1.00 SHBG (0.63) SHBGG6PDSERPINA6LMNAESR1
SCHEMBL27137680 1.00 SHBG (0.63) SHBGG6PDSERPINA6LMNAESR1
SCHEMBL16471235 0.85 SHBG (0.45) SHBGG6PDSERPINA6LMNAESR1
SCHEMBL5973078 0.84 ESR2 (0.67) SHBGG6PDSERPINA6LMNAESR1
SCHEMBL5973075 0.84 ESR2 (0.67) SHBGG6PDSERPINA6LMNAESR1
SCHEMBL8610721 0.84 ESR2 (0.67) SHBGG6PDSERPINA6LMNAESR1
SCHEMBL16182328 0.82 SHBG (0.71) SHBGG6PDSERPINA6LMNAESR1
SCHEMBL25322082 0.82 SHBG (0.63) SHBGG6PDSERPINA6LMNAESR1
SCHEMBL28237863 0.81 SHBG (0.44) SHBGG6PDSERPINA6LMNAESR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107325146-A A kind of synthetic method of the β alcohol of 17 5,16 diene of (3 pyridine radicals) androstane 3 李建恒 2017-11-07 CN claimed
CN-107056871-A A kind of synthetic method of abiraterone acetic ester 李建恒 2017-08-18 CN claimed
EP-2938654-B1 MOLECULARLY IMPRINTED POLYMER OF SOL-GEL TYPE FOR SELECTIVELY TRAPPING ODOROUS MOLECULES OREAL (FR) 2016-08-24 EP claimed
US-20150342868-A1 MOLECULARLY IMPRINTED POLYMER OF SOL-GEL TYPE FOR SELECTIVELY TRAPPING ODOROUS MOLECULES LOREAL (FR) 2015-12-03 US claimed
US-20150320667-A1 MOLECULARLY IMPRINTED POLYMER FOR SELECTIVELY TRAPPING ODOROUS MOLECULES L'OREAL (FR) 2015-11-12 US claimed
EP-2938654-A1 MOLECULARLY IMPRINTED POLYMER OF SOL-GEL TYPE FOR SELECTIVELY TRAPPING ODOROUS MOLECULES L'OREAL (FR) 2015-11-04 EP claimed
EP-2938402-A1 MOLECULARLY IMPRINTED POLYMER FOR SELECTIVELY TRAPPING ODOROUS MOLECULES L'OREAL (FR) 2015-11-04 EP claimed
WO-2014102077-A1 MOLECULARLY IMPRINTED POLYMER FOR SELECTIVELY TRAPPING ODOROUS MOLECULES L'OREAL (FR) 2014-07-03 WO claimed
WO-2014102078-A1 MOLECULARLY IMPRINTED POLYMER OF SOL-GEL TYPE FOR SELECTIVELY TRAPPING ODOROUS MOLECULES L'OREAL (FR) 2014-07-03 WO claimed
WO-1997036596-A1 STEROIDS AS NEUROCHEMICAL INITIATORS OF CHANGE IN HUMAN BLOOD LEVELS OF LH OR FSH PHERIN PHARMACEUTICALS, INC. (US) 1997-10-09 WO claimed
US-11246823-B2 Molecularly imprinted polymer of sol-gel type for selectively trapping odorous molecules L'OREAL (FR) 2022-02-15 US disclosed
CN-112851741-A Substituted steroid compound and application thereof 深圳市塔吉瑞生物医药有限公司 2021-05-28 CN disclosed
US-10772823-B2 Molecularly imprinted polymer for selectively trapping odorous molecules L'OREAL (FR) 2020-09-15 US disclosed
EP-3668889-A1 ECTOPIC OLFACTORY RECEPTORS AND USES THEREOF Aromyx Corporation (US) 2020-06-24 EP disclosed
CN-108541255-B Steroid compound, composition containing the compound and use thereof 深圳市塔吉瑞生物医药有限公司 2019-06-14 CN disclosed
US-7790905-B2 Pharmaceutical propylene glycol solvate compositions MCNEIL-PPC, INC. (US) 2010-09-07 US disclosed
EP-1140192-B1 USE OF THE CYCLOOXYGENASE-2 INHIBITOR CELECOXIB AND CAPECITABINE FOR COMBINATION THERAPY IN NEOPLASIA SEARLE LLC (US) 2006-04-05 EP disclosed
US-20050058725-A1 Combination therapy including a matrix metalloproteinase inhibitor and an antineoplastic agent MCKEARN JOHN P (US) 2005-03-17 US disclosed
WO-1997036596-A9 STEROIDS AS NEUROCHEMICAL INITIATORS OF CHANGE IN HUMAN BLOOD LEVELS OF LH OR FSH 1997-12-04 WO disclosed
US-4610877-A Immunological prevention of boar odor in uncastrated male pigs RESEARCH CORPORATION (US) 1986-09-09 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 (5 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-20050058725-A1 Combination therapy including a matrix metalloproteinase inhibitor and an antineoplastic agent MMP3, MMP10, MMP25 SHBG 3128/4885G6PD 830/4885SERPINA6 227/4885
US-11246823-B2 Molecularly imprinted polymer of sol-gel type for selectively trapping odorous molecules TAS2R30, TAS1R1, TAS2R10 SHBG 122/4885G6PD 3970/4885SERPINA6 436/4885
US-20150342868-A1 MOLECULARLY IMPRINTED POLYMER OF SOL-GEL TYPE FOR SELECTIVELY TRAPPING ODOROUS MOLECULES TAS2R30, TAS1R1, TAS2R10 SHBG 122/4885G6PD 3970/4885SERPINA6 436/4885
US-10772823-B2 Molecularly imprinted polymer for selectively trapping odorous molecules OR10J3, OR51E2, MSMO1 SHBG 263/4885G6PD 3301/4885SERPINA6 640/4885
US-20150320667-A1 MOLECULARLY IMPRINTED POLYMER FOR SELECTIVELY TRAPPING ODOROUS MOLECULES OR10J3, OR51E2, MSMO1 SHBG 263/4885G6PD 3301/4885SERPINA6 640/4885

“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.