SCHEMBL4264812

SCHEMBL4264812

COc1ccc(C(C)(C)C)cc1CCNC(=O)c1c(O)cccc1Cl

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ESRRG P62508 2/20 0.42
TAAR1 Q96RJ0 1/20 0.42
ESRRB O95718 1/20 0.42
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
RAB9A P51151 1/20 0.40

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
SCHEMBL330382 0.80 DNMT3A (0.55) GAA
SCHEMBL29246641 0.69 GAA (0.60) ALDH1A1GAARAB9A
SCHEMBL16135569 0.67 LMNA (0.58) GAARAB9A
SCHEMBL20932944 0.66 DNMT3A (0.77)
SCHEMBL6362312 0.66 HPGD (0.65) ALDH1A1GAA
SCHEMBL10961574 0.66 GABRA1 (0.46) TAAR1ALDH1A1
SCHEMBL1814208 0.65 GAA (0.55) TAAR1ALDH1A1GAA
SCHEMBL6360883 0.65 NLRP3 (0.59) ESRRGESRRBALDH1A1
SCHEMBL7854190 0.65 KMT2A (0.47) TAAR1ALDH1A1
SCHEMBL7197567 0.65 PPARG (0.45) ALDH1A1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090192122-A2 INFLAMMATORY CYTOKINE RELEASE INHIBITOR INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2009-07-30 US disclosed
US-20080249071-A1 INFLAMMATORY CYTOKINE RELEASE INHIBITOR INSTITUTE OF MEDICINAL MOLECULAR DESIGN. INC. (JP) 2008-10-09 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 (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-20090192122-A2 INFLAMMATORY CYTOKINE RELEASE INHIBITOR IL1B, NFKBIA, IL1A ESRRG 2455/4885TAAR1 1901/4885ESRRB 3179/4885
US-20080249071-A1 INFLAMMATORY CYTOKINE RELEASE INHIBITOR IL1B, NFKBIA, IL1A ESRRG 2455/4885TAAR1 1901/4885ESRRB 3179/4885

“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.