SCHEMBL17933713

SCHEMBL17933713

COCCCc1cccc(C(C)(C)C)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.39
LMNA P02545 2/20 0.38
POLB P06746 1/20 0.38
HTT P42858 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
FDFT1 P37268 1/20 0.38
CYP4F2 P78329 2/20 0.37
CYP4A11 Q02928 2/20 0.37
CHRM2 P08172 1/20 0.37
CHRM1 P11229 1/20 0.37
CHRM3 P20309 1/20 0.37
ACHE P22303 2/20 0.37
BCHE P06276 1/20 0.37
TACR1 P25103 1/20 0.36
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
IDO1 P14902 1/20 0.35

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
SCHEMBL13547854 0.89 TAAR1 (0.41) TAAR1LMNAPOLBHTTL3MBTL1
SCHEMBL12047382 0.85 TAAR1 (0.57) TAAR1HTTCHRM1CHRM3KDM4E
SCHEMBL14211890 0.85 LMNA (0.40) TAAR1LMNAPOLBHTTL3MBTL1
SCHEMBL1788542 0.81 LMNA (0.44) LMNACYP4F2CYP4A11ACHEBCHE
SCHEMBL11396987 0.80 TP53 (0.46) TAAR1L3MBTL1BCHETACR1KIF11
SCHEMBL26030893 0.80 LPL (0.46) TAAR1HTTACHEBCHEKIF11
SCHEMBL475558 0.80 TACR1 (0.42) TAAR1LMNAPOLBHTTL3MBTL1
SCHEMBL18608715 0.80 TAAR1 (0.56) TAAR1HTTCHRM1CHRM3KDM4E
SCHEMBL16672574 0.80 TNKS2 (0.45) LMNACYP4F2CYP4A11ACHEBCHE
SCHEMBL1788540 0.80 LMNA (0.46) LMNACYP4F2CYP4A11ACHEBCHE

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-20160207893-A1 NOVEL CALCIUM MODULATORS MYOTHERIX, INC. 2016-07-21 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-20160207893-A1 NOVEL CALCIUM MODULATORS CACNA1E, CASR, CACNA1D TAAR1 1825/4885LMNA 3962/4885POLB 4862/4885

“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.