SCHEMBL4172430

SCHEMBL4172430

CC1=CC(C)(C)Nc2cc3c(cc21)-c1c(F)cccc1C3=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PGR P06401 16/20 1.00
▸ ALDH1A1 P00352 4/20 0.47
▸ HSD17B10 Q99714 3/20 0.47
▸ KDM4E B2RXH2 3/20 0.47
▸ HPGD P15428 3/20 0.47
▸ MAPT P10636 2/20 0.47
▸ LMNA P02545 1/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ TDP1 Q9NUW8 1/20 0.47
▸ AR P10275 1/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46

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
SCHEMBL4170450 0.77 PGR (0.72) PGRALDH1A1HSD17B10KDM4EHPGD
SCHEMBL4182770 0.76 PGR (0.62) PGRALDH1A1HSD17B10KDM4EHPGD
SCHEMBL30973139 0.72 KDM4E (0.83) PGRALDH1A1HSD17B10KDM4EHPGD
SCHEMBL4170365 0.71 PGR (0.67) PGRALDH1A1HSD17B10KDM4EHPGD
SCHEMBL4187239 0.71 PGR (0.67) PGRALDH1A1HSD17B10KDM4EHPGD
SCHEMBL7677477 0.71 PGR (0.55) PGRALDH1A1KDM4EMAPTLMNA
SCHEMBL6648733 0.69 PGR (1.00) PGRAR
SCHEMBL8669578 0.68 MEN1 (0.55) PGRALDH1A1HSD17B10KDM4EHPGD
SCHEMBL6647667 0.68 PGR (0.50) PGRALDH1A1HSD17B10KDM4EHPGD
SCHEMBL27475132 0.67 PGR (0.60) PGRALDH1A1HSD17B10KDM4EHPGD

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 21 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
EP-0800519-A1 STEROID RECEPTOR MODULATOR COMPOUNDS AND METHODS LIGAND PHARMACEUTICALS, INC. (US) 1997-10-15 — — EP claimed
WO-1996019458-A2 STEROID RECEPTOR MODULATOR COMPOUNDS AND METHODS LIGAND PHARMACEUTICALS INCORPORATED (US) 1996-06-27 — — WO 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
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-6448405-B1 COUPLING A 2-HALO-5-NITROBENZOIC ACID AND A 2-METHOXYPHENYL BORONIC ACID; CYCLIZING TO A NITROBENZOCOUMARIN; REDUCING TO THE AMINE; CONVERTING TO A COUMARINO(3,4-F)QUINOLINE; REDUCTION TO A 5H-CHROMENO(3,4-F)QUINOLINE LIGAND PHARMACEUTICALS INCORPORATED 2002-09-10 — — US disclosed
EP-1043326-A1 Steroid receptor modulator compounds and methods LIGAND PHARMACEUTICALS INCORPORATED (US) 2000-10-11 — — EP disclosed
EP-1043315-A1 Steroid receptor modulator compounds and methods LIGAND PHARMACEUTICALS INCORPORATED (US) 2000-10-11 — — EP disclosed
EP-1041071-A1 Methods for the preparation of coumarine derivatives LIGAND PHARMACEUTICALS INCORPORATED (US) 2000-10-04 — — EP disclosed
EP-1041066-A1 Steroid receptor modulator compounds and methods LIGAND PHARMACEUTICALS INCORPORATED (US) 2000-10-04 — — EP disclosed
US-6121450-A NON-STEROIDAL COMPOUNDS WHICH ARE HIGH AFFINITY, HIGH SELECTIVITY MODULATORS FOR STEROID RECEPTORS LIGAND PHARMACEUTICALS INCORPORATED (US) 2000-09-19 — — US disclosed
US-6093821-A MAKING 6-(PHENYL OR HETEROARYL)-1,2-DIHYDRO-N-1-PROTECTED QUINOLINE BY REACTING THE CORRESPONDING 6-HALO-DERIVATIVE WITH AN ORGANOBORATE AND ACID TREATMENT TO FORM THE 6-BORO-DERIVATIVE, COUPLING WITH PHENYL OR HETEROARYL HALIDE LIGAND PHARMACEUTICALS INCORPORATED (US) 2000-07-25 — — US disclosed
US-5994544-A PRODUCING A 5H-CHROMENO(3,4-F)QUINOLINE LIGAND PHARMACEUTICALS INCORPORATED (US) 1999-11-30 — — 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 29/4885ALDH1A1 3161/4885HSD17B10 343/4885
US-20090227571-A1 Androgen Receptor Modulator Compounds and Methods AR, NR5A1, ESRRA PGR 44/4885ALDH1A1 1408/4885HSD17B10 232/4885

“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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