SCHEMBL5504578

SCHEMBL5504578

CC1=CC(C)(C)Nc2c1ccc(Cl)c2C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CES1 P23141 1/20 0.46
▸ ALDH1A1 P00352 7/20 0.44
▸ HSD17B10 Q99714 4/20 0.44
▸ TDP1 Q9NUW8 3/20 0.44
▸ CYP3A4 P08684 2/20 0.44
▸ KDM4E B2RXH2 7/20 0.43
▸ HPGD P15428 5/20 0.43
▸ MEN1 O00255 4/20 0.43
▸ KMT2A Q03164 4/20 0.43
▸ L3MBTL1 Q9Y468 2/20 0.43
▸ MAPT P10636 4/20 0.42
▸ PGR P06401 10/20 0.41
▸ LMNA P02545 2/20 0.41
▸ MAPK1 P28482 1/20 0.39
▸ GAA P10253 1/20 0.38
▸ AR P10275 2/20 0.38
▸ CYP1A2 P05177 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ ALOX15 P16050 1/20 0.36

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
SCHEMBL10841208 0.81 ALDH1A1 (0.47) ALDH1A1HSD17B10TDP1CYP3A4KDM4E
SCHEMBL6650129 0.80 ALDH1A1 (0.46) ALDH1A1HSD17B10TDP1CYP3A4KDM4E
SCHEMBL10840500 0.79 ALDH1A1 (0.53) CES1ALDH1A1HSD17B10TDP1CYP3A4
SCHEMBL10840550 0.71 PGR (0.35) CES1ALDH1A1HSD17B10TDP1CYP3A4
SCHEMBL4193038 0.71 CES1 (0.46) CES1ALDH1A1HSD17B10TDP1CYP3A4
SCHEMBL8024917 0.70 ALDH1A1 (0.56) ALDH1A1HSD17B10TDP1CYP3A4KDM4E
SCHEMBL10840158 0.69 CES1 (0.42) CES1ALDH1A1HSD17B10TDP1CYP3A4
SCHEMBL14144031 0.69 ALDH1A1 (0.50) ALDH1A1HSD17B10TDP1CYP3A4KDM4E
SCHEMBL10894057 0.68 PGR (0.67) ALDH1A1HSD17B10TDP1CYP3A4KDM4E
SCHEMBL10840854 0.68 CES1 (0.39) CES1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070254917-A1 INTRACELLULAR RECEPTOR MODULATOR COMPOUNDS AND METHODS LIGAND PHARMACEUTICALS INC. 2007-11-01 — — US disclosed
CN-101018552-A Intracellular receptor modulator compounds and methods LIGAND PHARM INC (US) 2007-08-15 — — CN disclosed
EP-1778233-A1 INTRACELLULAR RECEPTOR MODULATOR COMPOUNDS AND METHODS LIGAND PHARMACEUTICALS, INC. (US) 2007-05-02 — — EP disclosed
WO-2006019716-A1 INTRACELLULAR RECEPTOR MODULATOR COMPOUNDS AND METHODS LIGAND PHARMACEUTICALS, INC. (US) 2006-02-23 — — 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-20070254917-A1 INTRACELLULAR RECEPTOR MODULATOR COMPOUNDS AND METHODS CASR, GRK2, RYR2 CES1 3619/4885ALDH1A1 4580/4885HSD17B10 3939/4885

“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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