SCHEMBL4933736

SCHEMBL4933736

CCCNc1cc(C)cc(COc2c(C)cc(NC(=O)CC(=O)O)cc2C)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.44
TRPA1 O75762 2/20 0.42
THRB P10828 3/20 0.40
THRA P10827 2/20 0.40
CYP1A2 P05177 2/20 0.36
CYP3A4 P08684 1/20 0.36
KMT2A Q03164 3/20 0.36
FFAR1 O14842 1/20 0.36
FFAR4 Q5NUL3 1/20 0.36
HDAC8 Q9BY41 2/20 0.35
MEN1 O00255 2/20 0.34
POLB P06746 2/20 0.34
KDM4E B2RXH2 1/20 0.34
MAPT P10636 1/20 0.34
SENP5 Q96HI0 1/20 0.33
SENP2 Q9HC62 1/20 0.33
SENP1 Q9P0U3 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC1 Q13547 1/20 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
SCHEMBL4932767 0.91 ALDH1A1 (0.46) ALDH1A1THRBTHRACYP1A2CYP3A4
SCHEMBL4933128 0.89 TRPA1 (0.41) ALDH1A1TRPA1THRBTHRACYP1A2
SCHEMBL4931585 0.89 THRB (0.43) ALDH1A1TRPA1THRBTHRACYP1A2
SCHEMBL4930968 0.89 ALDH1A1 (0.42) ALDH1A1TRPA1THRBTHRAKMT2A
SCHEMBL5111499 0.88 ALDH1A1 (0.58) ALDH1A1THRBTHRACYP1A2CYP3A4
SCHEMBL4929668 0.87 TRPA1 (0.48) ALDH1A1TRPA1THRBTHRACYP1A2
SCHEMBL5717833 0.86 THRA (0.35) ALDH1A1TRPA1THRBTHRACYP1A2
SCHEMBL5111642 0.86 KMT2A (0.46) ALDH1A1THRBTHRACYP1A2CYP3A4
SCHEMBL4931960 0.86 ALDH1A1 (0.45) ALDH1A1THRBTHRACYP1A2CYP3A4
SCHEMBL4926964 0.84 ALDH1A1 (0.39) ALDH1A1THRBTHRACYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080221210-A1 Thyroid Receptor Agonists KARO BIO AB (SE) 2008-09-11 US 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-20080221210-A1 Thyroid Receptor Agonists TSHR, TRHR, THRA ALDH1A1 1818/4885TRPA1 675/4885THRB 4/4885

“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.