SCHEMBL19317747

SCHEMBL19317747

Bc1ccc(C(C)C)cc1B

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.44
▸ PTGS1 P23219 2/20 0.43
▸ TRPA1 O75762 1/20 0.43
▸ CACNA1C Q13936 1/20 0.43
▸ ALDH1A1 P00352 3/20 0.41
▸ HTT P42858 3/20 0.41
▸ ALOX12 P18054 2/20 0.41
▸ GAA P10253 1/20 0.41
▸ HIF1A Q16665 1/20 0.41
▸ RNASEH1 O60930 1/20 0.39
▸ TYR P14679 4/20 0.38
▸ KIF11 P52732 1/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ TP53 P04637 2/20 0.34
▸ MAPT P10636 2/20 0.34
▸ HDAC4 P56524 2/20 0.34
▸ HDAC8 Q9BY41 2/20 0.34
▸ MDM4 O15151 1/20 0.34
▸ CA1 P00915 1/20 0.34

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
SCHEMBL10227597 0.80 LMNA (0.52) LMNAPTGS1TRPA1CACNA1CALDH1A1
SCHEMBL24868612 0.80 LMNA (0.41) LMNAPTGS1TRPA1CACNA1CALDH1A1
SCHEMBL13890678 0.80 LMNA (0.58) LMNAPTGS1TRPA1CACNA1CALDH1A1
SCHEMBL25027728 0.80 LMNA (0.41) LMNAPTGS1TRPA1CACNA1CALDH1A1
SCHEMBL12101199 0.78 PTGS1 (0.59) LMNAPTGS1TRPA1CACNA1CALDH1A1
SCHEMBL24083283 0.78 ALDH1A1 (0.57) LMNAPTGS1TRPA1CACNA1CALDH1A1
SCHEMBL22618958 0.78 LMNA (0.40) LMNAPTGS1TRPA1CACNA1CALDH1A1
SCHEMBL16511366 0.78 LMNA (0.40) LMNAPTGS1TRPA1CACNA1CALDH1A1
SCHEMBL8343352 0.75 HDAC4 (0.47) LMNAALDH1A1SMN1; SMN2HDAC4HDAC8
SCHEMBL20028558 0.75 LMNA (0.38) LMNAPTGS1TRPA1CACNA1CALDH1A1

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-20170253601-A1 Substituted Pyrrolidine Compounds Epizyme, Inc. (US) 2017-09-07 — — 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-20170253601-A1 Substituted Pyrrolidine Compounds SMYD2, SMYD3, SNRPD2 LMNA 4320/4885PTGS1 3981/4885TRPA1 4530/4885

“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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