SCHEMBL1612700

SCHEMBL1612700

[CH2]CCc1c(C)ccc(C)c1C

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 3/20 0.32
POLB P06746 1/20 0.32
NOS3 P29474 2/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2A6 P11509 1/20 0.30
TSHR P16473 1/20 0.30
TDP2 O95551 1/20 0.30
NSD2 O96028 1/20 0.30
HSP90AA1 P07900 1/20 0.30
PAX8 Q06710 1/20 0.30

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
SCHEMBL1610280 0.88 NOS2 (0.31) NOS2POLB
SCHEMBL1611704 0.86 NOS2 (0.31) NOS2POLB
SCHEMBL1610857 0.84
SCHEMBL1610009 0.84
SCHEMBL1611703 0.84
SCHEMBL1611243 0.79 CYP1A2 (0.32) CYP1A2CYP2A6TSHRTDP2NSD2
SCHEMBL1611620 0.77 PGK1 (0.32)
SCHEMBL158976 0.77 CYP2A6 (0.39) CYP1A2CYP2A6TSHR
SCHEMBL7648215 0.75 TDP2 (0.34) NOS2POLBNOS3CYP1A2CYP2A6
SCHEMBL7648217 0.75 ALDH1A1 (0.38) NOS2POLBNOS3CYP1A2CYP2A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110087034-A1 Organic Semiconductor Material SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2011-04-14 US disclosed
EP-2248818-A1 ORGANIC SEMICONDUCTOR MATERIAL Sumitomo Chemical Company, Limited (JP) 2010-11-10 EP disclosed
EP-1347952-A4 ARYL AND HETEROARYLCYCLOPROPYL OXIME ETHERS AND THEIR USE AS FUNGICIDES DOW AGROSCIENCES LLC (US) 2005-10-26 EP disclosed
EP-1347952-A1 ARYL AND HETEROARYLCYCLOPROPYL OXIME ETHERS AND THEIR USE AS FUNGICIDES Dow AgroSciences LLC (US) 2003-10-01 EP disclosed
WO-2002046142-A1 ARYL AND HETEROARYLCYCLOPROPYL OXIME ETHERS AND THEIR USE AS FUNGICIDES DOW AGROSCIENCES LLC (US) 2002-06-13 WO disclosed
US-6348627-B1 CONTROLLING PHYTOPATHOGENIC FUNGI DOW AGROSCIENCES LLC 2002-02-19 US disclosed
WO-2002012172-A1 UNSATURATED OXIME ETHERS AND THEIR USE AS FUNGICIDES DOW AGROSCIENCES LLC (US) 2002-02-14 WO disclosed
US-6303818-B1 Unsaturated oxime ethers and their use as fungicides DOW AGROSCIENCES LLC 2001-10-16 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-20110087034-A1 Organic Semiconductor Material OR10J3, TST, OR51E2 NOS2 352/4885POLB 2185/4885NOS3 393/4885

“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.