SCHEMBL6648732

SCHEMBL6648732

CCCC1C=CN(C(=O)OC(C)(C)C)c2cc(OC)ccc21

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.35
STS P08842 2/20 0.35
EPHX2 P34913 1/20 0.35
CNR2 P34972 1/20 0.35
USP2 O75604 1/20 0.35
MAPT P10636 3/20 0.34
HTT P42858 3/20 0.34
HIF1A Q16665 1/20 0.34
CYP3A4 P08684 2/20 0.34
GHSR Q92847 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C19 P33261 1/20 0.34
GPR119 Q8TDV5 1/20 0.34
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
PIM1 P11309 2/20 0.33
CSNK1D P48730 2/20 0.33
CSNK1E P49674 2/20 0.33
CLK1 P49759 2/20 0.33

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
SCHEMBL6649701 0.74 ALDH1A1 (0.43) ALDH1A1STSEPHX2HTTGHSR
SCHEMBL6650954 0.70 EPHX2 (0.33) ALDH1A1STSEPHX2CNR2MAPT
SCHEMBL8878473 0.70 ALDH1A1 (0.43) ALDH1A1STSEPHX2HTTGHSR
SCHEMBL6650959 0.70 ALDH1A1 (0.43) ALDH1A1STSEPHX2HTTGHSR
SCHEMBL8878468 0.70 ALDH1A1 (0.43) ALDH1A1STSEPHX2HTTGHSR
SCHEMBL6650244 0.70 MAPT (0.34) ALDH1A1STSEPHX2CNR2MAPT
SCHEMBL8013307 0.68 ALDH1A1 (0.46) ALDH1A1STSEPHX2HTTGPR119
SCHEMBL29865825 0.68 ALDH1A1 (0.42) ALDH1A1STSEPHX2USP2HTT
SCHEMBL30041673 0.68 ALDH1A1 (0.42) ALDH1A1STSEPHX2USP2HTT
SCHEMBL6649609 0.68 ALDH1A1 (0.48) ALDH1A1STSEPHX2MAPTHTT

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
US-20040186132-A1 Steroid receptor modulator compounds and methods LIGAND PHARMACEUTICALS INCORPORATED 2004-09-23 US 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
EP-0800519-B1 STEROID RECEPTOR MODULATOR COMPOUNDS AND METHODS LIGAND PHARM INC (US) 2003-10-22 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-1043325-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-5994544-A PRODUCING A 5H-CHROMENO(3,4-F)QUINOLINE LIGAND PHARMACEUTICALS INCORPORATED (US) 1999-11-30 US 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-5696133-A ADMINISTERING COMPOUND WHICH MODULATES ACTIVITY OF PROGESTERONE RECEPTOR LIGAND PHARMACEUTICALS INCORPORATED (US) 1997-12-09 US disclosed
US-5693647-A Steroid receptor modulator compounds and methods LIGAND PHARMACEUTICALS INCORPORATED (US) 1997-12-02 US disclosed
US-5693646-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 (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-20040186132-A1 Steroid receptor modulator compounds and methods NR5A1, ESRRA, NR3C2 ALDH1A1 3161/4885STS 627/4885EPHX2 1163/4885

“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.