SCHEMBL2948516

SCHEMBL2948516

CCCCC1C=CC(=O)C1C/C=C\CCCC(=O)O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRPA1 O75762 4/20 0.61
▸ MEN1 O00255 3/20 0.61
▸ ALDH1A1 P00352 3/20 0.61
▸ KMT2A Q03164 3/20 0.61
▸ HPGD P15428 3/20 0.61
▸ LMNA P02545 2/20 0.61
▸ POLB P06746 1/20 0.61
▸ NR4A1 P22736 1/20 0.61
▸ PTPN7 P35236 1/20 0.61
▸ SMN1; SMN2 Q16637 1/20 0.61
▸ HIF1A Q16665 1/20 0.61
▸ MAPT P10636 5/20 0.57
▸ UCHL3 P15374 1/20 0.57
▸ PPARG P37231 5/20 0.53
▸ RECQL P46063 2/20 0.53
▸ TDP1 Q9NUW8 2/20 0.53
▸ MIF P14174 1/20 0.53
▸ HTT P42858 1/20 0.52
▸ GALR3 O60755 1/20 0.52
▸ EP300 Q09472 1/20 0.49

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
SCHEMBL2948519 1.00 TRPA1 (0.61) TRPA1MEN1ALDH1A1KMT2AHPGD
SCHEMBL19732190 0.90 TRPA1 (0.64) TRPA1MEN1ALDH1A1KMT2AHPGD
SCHEMBL21631706 0.90 TRPA1 (0.59) TRPA1MEN1ALDH1A1KMT2AHPGD
SCHEMBL30209147 0.90 TRPA1 (0.59) TRPA1MEN1ALDH1A1KMT2AHPGD
SCHEMBL2948236 0.87 PTGER4 (0.48) TRPA1MEN1ALDH1A1KMT2AHPGD
SCHEMBL2948238 0.87 PTGER4 (0.48) TRPA1MEN1ALDH1A1KMT2AHPGD
SCHEMBL8822989 0.86 TRPA1 (0.50) TRPA1MEN1ALDH1A1KMT2AHPGD
SCHEMBL8822983 0.86 TRPA1 (0.50) TRPA1MEN1ALDH1A1KMT2AHPGD
SCHEMBL14538124 0.84 PPARG (0.49) TRPA1MEN1ALDH1A1KMT2AHPGD
SCHEMBL594566 0.84 PPARG (0.49) TRPA1MEN1ALDH1A1KMT2AHPGD

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-7759399-B2 Pharmaceutical compositions CRAWFORD HEALTHCARE HOLDINGS LIMITED (GB) 2010-07-20 — — US disclosed
US-20060252839-A1 Pharmaceutical compositions BIOGEM S.C.A.R.L. (IT) 2006-11-09 — — 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 (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-20060252839-A1 Pharmaceutical compositions ADK, SYMPK, CYP2J2 TRPA1 1929/4885MEN1 3916/4885ALDH1A1 981/4885

“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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