SCHEMBL3868012

SCHEMBL3868012

Cc1cc(O)cc2c1[C@H]1CC[C@]3(C)[C@@H](O)CC[C@H]3[C@@H]1CC2

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 5/20 0.67
HSD17B10 Q99714 5/20 0.67
LMNA P02545 4/20 0.67
ESR2 Q92731 4/20 0.67
TSHR P16473 3/20 0.67
MEN1 O00255 3/20 0.67
KMT2A Q03164 3/20 0.67
MAPT P10636 3/20 0.67
SHBG P04278 3/20 0.67
CYP1A2 P05177 3/20 0.67
CYP3A4 P08684 3/20 0.67
CYP1B1 Q16678 3/20 0.67
CYP2C19 P33261 2/20 0.67
BLM P54132 2/20 0.67
PMP22 Q01453 2/20 0.67
CYP2C9 P11712 1/20 0.67
HIF1A Q16665 1/20 0.67
SLC22A1 O15245 1/20 0.67
AKR1B10 O60218 1/20 0.67
SLC22A3 O75751 1/20 0.67

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
SCHEMBL548134 1.00 ESR1 (0.67) ESR1HSD17B10LMNAESR2TSHR
SCHEMBL11097284 1.00 ESR1 (0.67) ESR1HSD17B10LMNAESR2TSHR
SCHEMBL11874816 0.89 ESR1 (0.68) ESR1HSD17B10LMNAESR2TSHR
SCHEMBL5460095 0.89 ESR1 (0.68) ESR1HSD17B10LMNAESR2TSHR
SCHEMBL711024 0.89 ESR1 (0.68) ESR1HSD17B10LMNAESR2TSHR
SCHEMBL4749408 0.88 ESR1 (0.67) ESR1HSD17B10LMNAESR2TSHR
SCHEMBL10794417 0.88 ESR1 (0.67) ESR1HSD17B10LMNAESR2TSHR
SCHEMBL10794423 0.88 ESR1 (0.67) ESR1HSD17B10LMNAESR2TSHR
SCHEMBL10792759 0.87 ESR1 (0.65) ESR1HSD17B10LMNAESR2TSHR
SCHEMBL10792763 0.87 ESR1 (0.65) ESR1HSD17B10LMNAESR2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7538100-B2 17α-alkyl-17β-oxy-estratrienes and intermediate products for their production, use of the 17α-alkyl-17β-oxy-estratrienes for the production of pharmaceutical agents as well as pharmaceutical preparations BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-05-26 US disclosed
US-20060009436-A1 17alpha-alkyl-17beta-oxy-estratrienes and intermediate products for their production, use of the 17alpha-alkyl-17beta-oxy-estratrienes for the production of pharmaceutical agents as well as pharmaceutical preparations BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2006-01-12 US disclosed
EP-0573977-B1 Novel estradiol derivative-chlorambucil conjugate, process for preparing the same, and pharmaceutical composition KUREHA CHEMICAL IND CO LTD (JP) 1998-05-13 EP disclosed
US-5578589-A Method for suppressing an immunoresponse with an estradiol derivative-chlorambucil conjugate KUREHA CHEMICAL INDUSTRY CO., LTD. (JP) 1996-11-26 US disclosed
US-5576309-A HEMATOPOIETIC OR SOLID TUMOR TREATMENT KUREHA CHEMICAL INDUSTRY CO., LTD. (JP) 1996-11-19 US disclosed
US-5354745-A Antitumor agents KUREHA CHEMICAL INDUSTRY CO., LTD. (JP) 1994-10-11 US disclosed
EP-0573977-A2 Novel estradiol derivative-chlorambucil conjugate, process for preparing the same, and pharmaceutical composition KUREHA CHEMICAL INDUSTRY CO., LTD. (JP) 1993-12-15 EP 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-20060009436-A1 17alpha-alkyl-17beta-oxy-estratrienes and intermediate products for their production, use of the 17alpha-alkyl-17beta-oxy-estratrienes for the production of pharmaceutical agents as well as pharmaceutical preparations CYP19A1, HSD17B11, CYP17A1 ESR1 22/4885HSD17B10 39/4885LMNA 2843/4885

“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.