SCHEMBL4175246

SCHEMBL4175246

CC1CC(C)(C)Nc2ccc(-c3cccc(C#N)c3)cc21

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PGR P06401 11/20 0.60
▸ AR P10275 2/20 0.60
▸ NR3C1 P04150 1/20 0.60
▸ NR3C2 P08235 1/20 0.60
▸ ALDH1A1 P00352 2/20 0.49
▸ HTT P42858 1/20 0.49
▸ MEN1 O00255 1/20 0.44
▸ USP2 O75604 1/20 0.44
▸ TP53 P04637 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ CHEK1 O14757 1/20 0.41
▸ CREBBP Q92793 1/20 0.41
▸ OTUD7B Q6GQQ9 2/20 0.38
▸ IDO1 P14902 1/20 0.37

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
SCHEMBL4175103 0.83 ALDH1A1 (0.57) PGRARNR3C1NR3C2ALDH1A1
SCHEMBL5502164 0.78 PGR (0.43) PGRARNR3C1NR3C2CREBBP
SCHEMBL4165537 0.75 ALDH1A1 (0.55) PGRARNR3C1NR3C2ALDH1A1
SCHEMBL5503018 0.75 CREBBP (0.43) PGRARNR3C1NR3C2CREBBP
SCHEMBL13905780 0.70 ALDH1A1 (0.63) PGRARNR3C1NR3C2ALDH1A1
SCHEMBL6566824 0.70 ALDH1A1 (0.63) PGRARNR3C1NR3C2ALDH1A1
SCHEMBL10840878 0.70 ALDH1A1 (0.58) PGRARNR3C1NR3C2ALDH1A1
SCHEMBL3381317 0.69 ALDH1A1 (0.61) PGRARNR3C1NR3C2ALDH1A1
SCHEMBL10840856 0.69 ALDH1A1 (0.61) PGRARNR3C1NR3C2ALDH1A1
SCHEMBL16778351 0.69 ALDH1A1 (0.61) PGRARNR3C1NR3C2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1382597-A2 Steroid receptor modulator compounds and methods LIGAND PHARMACEUTICALS, INC. (US) 2004-01-21 — — EP claimed
EP-1043315-A1 Steroid receptor modulator compounds and methods LIGAND PHARMACEUTICALS INCORPORATED (US) 2000-10-11 — — EP claimed
CN-1175247-A Steroid receptor modulator compounds and methods LIGAND PHARM INC (US) 1998-03-04 — — CN claimed
US-5688810-A Steroid receptor modulator compounds and methods LIGAND PHARMACEUTICALS INCORPORATED (US) 1997-11-18 — — US claimed
US-20090227571-A1 Androgen Receptor Modulator Compounds and Methods LIGAND PHARMACEUTICALS INCORPORATED 2009-09-10 — — US disclosed
WO-2007005887-A2 ANDROGEN RECEPTOR MODULATOR COMPOUNDS, COMPOSITIONS AND USES THEREOF LIGAND PHARMACEUTICALS INCORPORATED (US) 2007-01-11 — — WO disclosed
CN-1626534-A Steroid receptor modulator compounds and methods LIGAND PHARM INC (US) 2005-06-15 — — CN disclosed
CN-1172917-C Steroid receptor modulator compounds and methods ��λ��ҩ��ɷ����޹�˾ 2004-10-27 — — CN disclosed
US-20040186132-A1 Steroid receptor modulator compounds and methods LIGAND PHARMACEUTICALS INCORPORATED 2004-09-23 — — US disclosed
EP-1043325-B1 Steroid receptor modulator compounds and methods LIGAND PHARM INC (US) 2004-06-16 — — EP disclosed
US-6696459-B1 USING HIGH AFFINITY, HIGH SELECTIVITY QUINOLINE DERIVATIVESW LIGAND PHARMACEUTICALS INC. 2004-02-24 — — US disclosed
EP-1382597-A2 Steroid receptor modulator compounds and methods LIGAND PHARMACEUTICALS, INC. (US) 2004-01-21 — — EP disclosed
US-5696130-A Tricyclic steroid receptor modulator compounds and methods LIGAND PHARMACEUTICALS INCORPORATED (US) 1997-12-09 — — US disclosed
US-5696127-A Steroid receptor modulator compounds and methods LIGAND PHARMACEUTICALS INCORPORATED (US) 1997-12-09 — — US disclosed
US-5693646-A Steroid receptor modulator compounds and methods LIGAND PHARMACEUTICALS INCORPORATED (US) 1997-12-02 — — US disclosed
US-5693647-A Steroid receptor modulator compounds and methods LIGAND PHARMACEUTICALS INCORPORATED (US) 1997-12-02 — — US disclosed
US-5688808-A Steroid receptor modulator compounds and methods LIGAND PHARMACEUTICALS INCORPORATED (US) 1997-11-18 — — US disclosed
US-5688810-A Steroid receptor modulator compounds and methods LIGAND PHARMACEUTICALS INCORPORATED (US) 1997-11-18 — — US disclosed
EP-0800519-A1 STEROID RECEPTOR MODULATOR COMPOUNDS AND METHODS LIGAND PHARMACEUTICALS, INC. (US) 1997-10-15 — — EP disclosed
WO-1996019458-A2 STEROID RECEPTOR MODULATOR COMPOUNDS AND METHODS LIGAND PHARMACEUTICALS INCORPORATED (US) 1996-06-27 — — 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 (2 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-20040186132-A1 Steroid receptor modulator compounds and methods NR5A1, ESRRA, NR3C2 PGR 29/4885AR 7/4885NR3C1 6/4885
US-20090227571-A1 Androgen Receptor Modulator Compounds and Methods AR, NR5A1, ESRRA PGR 44/4885AR 1/4885NR3C1 21/4885

“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.

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