SCHEMBL1900489

SCHEMBL1900489

C[C@@]12CCC[C@H]1[C@@H]1CC(=O)C3=CC(=O)CC[C@]3(C)[C@@H]1CC2

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 14/20 0.70
SMN1; SMN2 Q16637 4/20 0.44
NR1I2 O75469 2/20 0.44
ALDH1A1 P00352 2/20 0.44
NR3C1 P04150 2/20 0.44
PGR P06401 2/20 0.44
NR3C2 P08235 2/20 0.44
CYP3A4 P08684 2/20 0.44
AR P10275 2/20 0.44
NR1H4 Q96RI1 2/20 0.44
MAPT P10636 2/20 0.44
ESR1 P03372 1/20 0.44
TP53 P04637 1/20 0.44
VDR P11473 1/20 0.44
TSHR P16473 1/20 0.44
RXRA P19793 1/20 0.44
MAPK1 P28482 1/20 0.44
PPARG P37231 1/20 0.44
NR1H2 P55055 1/20 0.44
PPARA Q07869 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
SCHEMBL1900487 1.00 CYP19A1 (0.70) CYP19A1SMN1; SMN2NR1I2ALDH1A1NR3C1
SCHEMBL1780129 0.88 CYP17A1 (0.55) CYP19A1SMN1; SMN2ALDH1A1NR3C1PGR
SCHEMBL1780130 0.88 CYP17A1 (0.55) CYP19A1SMN1; SMN2ALDH1A1NR3C1PGR
SCHEMBL10380895 0.85 CYP19A1 (0.72) CYP19A1SMN1; SMN2NR1I2ALDH1A1NR3C1
SCHEMBL10380893 0.85 CYP19A1 (0.72) CYP19A1SMN1; SMN2NR1I2ALDH1A1NR3C1
SCHEMBL10380894 0.85 CYP19A1 (0.72) CYP19A1SMN1; SMN2NR1I2ALDH1A1NR3C1
SCHEMBL5432268 0.83 CYP19A1 (0.68) CYP19A1SMN1; SMN2NR1I2ALDH1A1NR3C1
SCHEMBL5432264 0.83 CYP19A1 (0.68) CYP19A1SMN1; SMN2NR1I2ALDH1A1NR3C1
SCHEMBL7520550 0.83 CYP19A1 (0.64) CYP19A1SMN1; SMN2NR1I2ALDH1A1NR3C1
SCHEMBL42712 0.82 CYP19A1 (1.00) CYP19A1SMN1; SMN2ALDH1A1TSHRMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090124587-A1 METHODS FOR TREATING CANCER USING 17alpha-HYDROXYLASE/C17,20-LYASE INHIBITORS AUERBACH ALAN H 2009-05-14 US claimed
WO-2009009132-A1 USE OF 17ALPHA-HYDROXYLASE/C17, 20-LYASE INHIBITORS FOR THE TREATMENT OF CANCER COUGAR BIOTECHNOLOGY, INC. (US) 2009-01-15 WO claimed
US-11974977-B2 Composition and uses for influencing hair growth LUCOLAS—M.D. LTD (GB) 2024-05-07 US disclosed
US-11324711-B2 Composition and uses for influencing hair growth S.W. PATENTVERWERTUNGS LIMITED (GB) 2022-05-10 US disclosed
US-20220133749-A1 METHODS AND COMPOSITIONS FOR TREATING CANCER JANSSEN ONCOLOGY INC (US) 2022-05-05 US disclosed
US-20210290579-A1 COMPOSITION AND USES FOR INFLUENCING HAIR GROWTH LUCOLAS M D LTD (GB) 2021-09-23 US disclosed
US-11052059-B2 Composition and uses for influencing hair growth LUCOLAS - M.D. LTD (GB) 2021-07-06 US disclosed
EP-3804730-A1 COMPOSITIONS FOR TREATING CANCER Janssen Oncology, Inc. (US) 2021-04-14 EP disclosed
US-20200237785-A1 METHODS AND COMPOSITIONS FOR TREATING CANCER JANSSEN ONCOLOGY INC (US) 2020-07-30 US disclosed
US-10702589-B2 Compositions and methods of treating neurological disorder and stress-induced conditions ANN AND ROBERT H. LURIE CHILDREN'S HOSPITAL OF CHICAGO (US) 2020-07-07 US disclosed
US-10702540-B2 Methods and compositions for treating cancer JANSSEN ONCOLOGY, INC. (US) 2020-07-07 US disclosed
WO-2008024484-A1 METHODS AND COMPOSITIONS FOR TREATING CANCER COUGAR BIOTECHNOLOGY, INC. (US) 2008-02-28 WO disclosed
US-20070148123-A1 Substances and agents for positively influencing collagen WIELAND HEINRICH 2007-06-28 US disclosed
US-20040241087-A1 Aromatase marking MEDICAL DISCOVERIES, INC. 2004-12-02 US disclosed
US-20040018991-A1 Topical treatment for mastalgia MDI ONCOLOGY, INC. 2004-01-29 US disclosed
EP-0633893-B1 17-SUBSTITUTED STEROIDS USEFUL IN CANCER TREATMENT BTG INT LTD (GB) 1999-11-24 EP disclosed
US-5618807-A Method for preparing 17-substituted steroids useful in cancer treatment BRITISH TECHNOLOGY GROUP LIMITED (GB) 1997-04-08 US disclosed
US-5604213-A STEROID DEPENDENT CANCERS SUCH AS PROSTATE AND BREAST CANCER BRITISH TECHNOLOGY GROUP LIMITED (GB) 1997-02-18 US disclosed
EP-0633893-A1 17-SUBSTITUTED STEROIDS USEFUL IN CANCER TREATMENT BRITISH TECHNOLOGY GROUP LTD (GB) 1995-01-18 EP disclosed
WO-1993020097-A1 17-SUBSTITUTED STEROIDS USEFUL IN CANCER TREATMENT BRITISH TECHNOLOGY GROUP LTD. (GB) 1993-10-14 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 (4 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-20090124587-A1 METHODS FOR TREATING CANCER USING 17alpha-HYDROXYLASE/C17,20-LYASE INHIBITORS CYP17A1, CYP21A2, HSD17B11 CYP19A1 12/4885SMN1; SMN2 4281/4885NR1I2 473/4885
US-10702540-B2 Methods and compositions for treating cancer CYP17A1, HSD17B7, HSD17B11 CYP19A1 17/4885SMN1; SMN2 4133/4885NR1I2 671/4885
US-20220133749-A1 METHODS AND COMPOSITIONS FOR TREATING CANCER CYP17A1, HSD17B7, HSD17B11 CYP19A1 17/4885SMN1; SMN2 4133/4885NR1I2 671/4885
US-20200237785-A1 METHODS AND COMPOSITIONS FOR TREATING CANCER CYP17A1, HSD17B7, HSD17B11 CYP19A1 17/4885SMN1; SMN2 4133/4885NR1I2 671/4885

“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.