SCHEMBL4268450

SCHEMBL4268450

CC(C)(C)Oc1nccc2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.50
TRPA1 O75762 1/20 0.49
CYP3A4 P08684 2/20 0.46
TSHR P16473 1/20 0.46
CYP2C19 P33261 1/20 0.46
PLAU P00749 2/20 0.46
F12 P00748 1/20 0.46
NCF1 P14598 1/20 0.46
NOS3 P29474 1/20 0.46
NOS1 P29475 1/20 0.46
NOS2 P35228 1/20 0.46
BACE1 P56817 1/20 0.46
SSTR4 P31391 2/20 0.41
SSTR1 P30872 1/20 0.41
LMNA P02545 2/20 0.41
CFTR P13569 1/20 0.41
GOPC Q9HD26 1/20 0.41
HRH4 Q9H3N8 1/20 0.39
PLG P00747 1/20 0.39
CNR2 P34972 1/20 0.38

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
SCHEMBL27364465 0.86 CYP2A6 (0.44) CYP2A6TRPA1CYP3A4TSHRCYP2C19
SCHEMBL5218089 0.84 CYP2A6 (0.46) CYP2A6TRPA1CYP3A4TSHRCYP2C19
SCHEMBL7818025 0.80 GAA (0.39) CYP2A6TRPA1MAPTALDH1A1SMN1; SMN2
SCHEMBL7810640 0.79 MAPT (0.39) CYP3A4CYP2C19LMNAMAPTALDH1A1
SCHEMBL30223171 0.79 CYP2A6 (0.55) CYP2A6TRPA1CYP3A4TSHRCYP2C19
SCHEMBL2231183 0.79 CYP2A6 (0.55) CYP2A6TRPA1CYP3A4TSHRCYP2C19
SCHEMBL31498832 0.78 TRPA1 (0.60) CYP2A6TRPA1CYP3A4TSHRCYP2C19
SCHEMBL6110247 0.78 TRPA1 (0.60) CYP2A6TRPA1CYP3A4TSHRCYP2C19
SCHEMBL15483760 0.77 CYP1A2 (0.38) CYP2A6TRPA1LMNAALDH1A1HSD17B10
Hydrochloric Acid SCHEMBL30098536 0.77 CYP2A6 (0.53) CYP2A6TRPA1CYP3A4TSHRCYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8809267-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2014-08-19 US disclosed
US-20140051626-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2014-02-20 US disclosed
US-8513186-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2013-08-20 US disclosed
US-7605215-B2 Process for producing olefin copolymerization catalyst and process for producing olefin copolymer SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-10-20 US disclosed
US-20090186869-A1 Antiviral compounds GILEAD SCIENCES, INC. (US) 2009-07-23 US disclosed
US-20080227937-A1 Process for Producing Olefin Copolymerization Catalyst and Process for Producing Olefin Copolymer SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2008-09-18 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-20090186869-A1 Antiviral compounds MAVS, EIF2AK2, ZC3HAV1 CYP2A6 2659/4885TRPA1 4344/4885CYP3A4 1770/4885
US-20140051626-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 CYP2A6 2659/4885TRPA1 4344/4885CYP3A4 1770/4885

“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.