SCHEMBL5508770

SCHEMBL5508770

CC1=CC(C)(C)Nc2c(C)cc(Br)c(Cl)c21

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.38
▸ HSD17B10 Q99714 3/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ MAPT P10636 2/20 0.38
▸ HPGD P15428 2/20 0.38
▸ LMNA P02545 1/20 0.38
▸ PGR P06401 16/20 0.36
▸ NR3C1 P04150 4/20 0.33
▸ AR P10275 4/20 0.32
▸ CYP3A4 P08684 1/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL5502831 0.72 ALDH1A1 (0.38) ALDH1A1HSD17B10KDM4EMAPTHPGD
SCHEMBL4193038 0.71 CES1 (0.46) ALDH1A1HSD17B10KDM4EMAPTHPGD
SCHEMBL27704548 0.71 PGR (0.44) ALDH1A1HSD17B10KDM4EMAPTHPGD
SCHEMBL5500965 0.71 NR3C1 (0.41) ALDH1A1HSD17B10KDM4EMAPTHPGD
SCHEMBL5506049 0.70 PGR (0.44) ALDH1A1HSD17B10KDM4EMAPTHPGD
SCHEMBL5495793 0.70 ALDH1A1 (0.41) ALDH1A1HSD17B10KDM4EMAPTHPGD
SCHEMBL5502440 0.69 PGR (0.54) ALDH1A1HSD17B10KDM4EMAPTHPGD
SCHEMBL5503508 0.69 PGR (0.59) ALDH1A1HSD17B10KDM4EMAPTHPGD
SCHEMBL5503883 0.69 PGR (0.56) ALDH1A1HSD17B10KDM4EMAPTHPGD
SCHEMBL5503876 0.68 PGR (0.39) ALDH1A1HSD17B10KDM4EMAPTHPGD

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 ALDH1A1 4580/4885HSD17B10 3939/4885KDM4E 4073/4885

“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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