SCHEMBL172746

SCHEMBL172746

CC12CCCC1C1CCc3cc(O)ccc3C1CC2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SHBG P04278 5/20 1.00
HSD17B1 P14061 2/20 0.68
STS P08842 5/20 0.65
ESR1 P03372 9/20 0.64
ESR2 Q92731 7/20 0.64
HSD17B10 Q99714 4/20 0.64
LMNA P02545 4/20 0.64
PGR P06401 4/20 0.64
AR P10275 4/20 0.64
SLC6A4 P31645 4/20 0.64
SLC6A3 Q01959 4/20 0.64
SERPINA6 P08185 3/20 0.64
SNCA P37840 3/20 0.64
HIF1A Q16665 3/20 0.64
CYP3A4 P08684 3/20 0.64
HTR2B P41595 3/20 0.64
NR3C1 P04150 3/20 0.64
AKR1B10 O60218 2/20 0.64
CYP1A2 P05177 2/20 0.64
MAPT P10636 2/20 0.64

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
SCHEMBL7864592 1.00 SHBG (1.00) SHBGHSD17B1STSESR1ESR2
SCHEMBL712443 1.00 SHBG (1.00) SHBGHSD17B1STSESR1ESR2
SCHEMBL29643366 1.00 SHBG (1.00) SHBGHSD17B1STSESR1ESR2
SCHEMBL28373123 0.90 SHBG (0.81) SHBGHSD17B1STSESR1ESR2
SCHEMBL6695130 0.86 SHBG (0.75) SHBGHSD17B1STSESR1ESR2
SCHEMBL5143409 0.85 SHBG (0.74) SHBGHSD17B1STSESR1ESR2
SCHEMBL8606752 0.84 SHBG (0.72) SHBGHSD17B1STSESR1ESR2
SCHEMBL23027370 0.84 SHBG (0.71) SHBGHSD17B1STSESR1ESR2
SCHEMBL2232239 0.84 STS (0.74) SHBGHSD17B1STSESR1ESR2
SCHEMBL23645588 0.84 STS (0.74) SHBGHSD17B1STSESR1ESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2625190-B1 DERIVATIVES OF STEROID BENZYLAMINES, HAVING AN ANTIPARASITIC, ANTIBACTERIAL, ANTIMYCOTIC AND/OR ANTIVIRAL ACTION UNIV JUSTUS LIEBIG GIESSEN (DE) 2021-07-14 EP disclosed
US-20150168424-A1 IGFBP2 Biomarker WANG YAN (US) 2015-06-18 US disclosed
US-20150093398-A1 Methods and Compositions for Treating or Preventing Cancer MERCK SHARP & DOHME (US) 2015-04-02 US disclosed
US-20130243692-A1 FDG-PET EVALUATION OF EWING'S SARCOMA SENSITIVITY MERCK SHARP & DOHME CORP. (US) 2013-09-19 US disclosed
US-8470297-B1 FDG-pet evaluation of Ewing's sarcoma sensitivity MERCK SHARP & DOHME CORP. (US) 2013-06-25 US disclosed
US-20130029901-A1 METHODS AND COMPOUNDS FOR THE TARGETED DELIVERY OF AGENTS TO BONE FOR INTERACTION THEREWITH Pradama, Inc. 2013-01-31 US disclosed
US-8236565-B2 Tagging reagents and methods for hydroxylated compounds DH TECHNOLOGIES DEVELOPMENT PTE. LTD. (SG) 2012-08-07 US disclosed
US-8216571-B2 Fully human anti-VEGF antibodies and methods of using SCHERING CORPORATION (US) 2012-07-10 US disclosed
US-20120083440-A1 METHODS AND COMPOUNDS FOR THE TARGETED DELIVERY OF AGENTS TO BONE FOR INTERACTION THEREWITH Pradama, Inc. 2012-04-05 US disclosed
US-20120058112-A1 ANTIBODIES MERCK SHARP & DOHME CORP. 2012-03-08 US disclosed
US-20110091524-A1 BIOMARKERS FOR SENSITIVITY TO ANTI-IGF1R THERAPY MERCK SHARP & DOHME CORP. 2011-04-21 US disclosed
US-20110014117-A1 ANTI-IGF1R SCHERING CORPORATION 2011-01-20 US disclosed
US-20110009387-A1 HISTONE H2AX (HH2AX) BIOMARKER FOR FTI SENSITIVITY SCHERING CORPORATION 2011-01-13 US disclosed
US-20100143340-A1 METHODS AND COMPOSITIONS FOR TREATING CANCER SCHERING CORPORATION 2010-06-10 US disclosed
WO-2009047343-A1 BENZOCYCLOHEPTENE DERIVATIVES AS ESTROGENS HAVING SELECTIVE ACTIVITY BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-04-16 WO disclosed
EP-1310508-B1 Estrogen sulfamate sulphatase inhibitors STERIX LTD (GB) 2008-10-15 EP disclosed
US-20080112888-A1 IGFBP2 BIOMARKER SCHERING CORPORATION 2008-05-15 US disclosed
US-20080090242-A1 PANEL OF BIOMARKERS FOR PREDICTION OF FTI EFFICACY SCHERING CORPORATION 2008-04-17 US disclosed
US-20080014642-A1 TAGGING REAGENTS AND METHODS FOR HYDROXYLATED COMPOUNDS APPLIED BIOSYSTEMS, INC. (US) 2008-01-17 US disclosed
US-20070099876-A1 Target directed chemotherapy of tumours of the sexual organs TRIN GMBH (CH) 2007-05-03 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 (13 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-20070099876-A1 Target directed chemotherapy of tumours of the sexual organs GPER1, SHBG, GNRHR SHBG 2/4885HSD17B1 81/4885STS 112/4885
US-20150168424-A1 IGFBP2 Biomarker IGFBP2, IGFBP1, IGFBP5 SHBG 14/4885HSD17B1 663/4885STS 1447/4885
US-20130243692-A1 FDG-PET EVALUATION OF EWING'S SARCOMA SENSITIVITY IGF1R, IRS1, EWSR1 SHBG 180/4885HSD17B1 2180/4885STS 852/4885
US-20080112888-A1 IGFBP2 BIOMARKER IGFBP2, IGFBP1, IGFBP5 SHBG 14/4885HSD17B1 663/4885STS 1447/4885
US-20120083440-A1 METHODS AND COMPOUNDS FOR THE TARGETED DELIVERY OF AGENTS TO BONE FOR INTERACTION THEREWITH BMP2, SOST, BMP4 SHBG 64/4885HSD17B1 3580/4885STS 3742/4885
US-20080014642-A1 TAGGING REAGENTS AND METHODS FOR HYDROXYLATED COMPOUNDS DHCR7, SRMS, CYP21A2 SHBG 14/4885HSD17B1 31/4885STS 60/4885
US-20110014117-A1 ANTI-IGF1R IGF1R, IGFBP1, IGFBP2 SHBG 45/4885HSD17B1 3020/4885STS 3816/4885
US-20120058112-A1 ANTIBODIES IGF1R, EGFR, ERBB3 SHBG 518/4885HSD17B1 2876/4885STS 3336/4885
US-20110009387-A1 HISTONE H2AX (HH2AX) BIOMARKER FOR FTI SENSITIVITY TERF2IP, TERF2, DOT1L SHBG 2859/4885HSD17B1 3701/4885STS 4013/4885
US-20130029901-A1 METHODS AND COMPOUNDS FOR THE TARGETED DELIVERY OF AGENTS TO BONE FOR INTERACTION THEREWITH BMP2, SOST, BMP4 SHBG 64/4885HSD17B1 3580/4885STS 3742/4885
US-20100143340-A1 METHODS AND COMPOSITIONS FOR TREATING CANCER TP53, KLK3, CD44 SHBG 23/4885HSD17B1 2575/4885STS 4550/4885
US-20110091524-A1 BIOMARKERS FOR SENSITIVITY TO ANTI-IGF1R THERAPY IGF1R, IGFBP1, IGFBP2 SHBG 96/4885HSD17B1 2521/4885STS 2851/4885
US-20150093398-A1 Methods and Compositions for Treating or Preventing Cancer BRCA1, VHL, TP53 SHBG 323/4885HSD17B1 1467/4885STS 4420/4885

“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.