SCHEMBL3943573

SCHEMBL3943573

CCC(=O)[N]c1ccc(OC)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 1/20 0.47
HTT P42858 1/20 0.46
LDHA P00338 1/20 0.46
NOS3 P29474 4/20 0.46
HTR3E A5X5Y0 1/20 0.46
HTR3B O95264 1/20 0.46
HTR3A P46098 1/20 0.46
HTR3D Q70Z44 1/20 0.46
HTR3C Q8WXA8 1/20 0.46
CES2 O00748 1/20 0.45
CES1 P23141 1/20 0.45
NOS1 P29475 2/20 0.45
NOS2 P35228 2/20 0.45
CTBP2 P56545 1/20 0.45
F2RL1 P55085 1/20 0.44
KMT2A Q03164 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
MAPT P10636 1/20 0.44
GSK3B P49841 1/20 0.43

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
SCHEMBL11233425 0.78 MAPT (0.54) KMT2ACA1CA2MAPT
SCHEMBL3649880 0.78 NOS3 (0.55) NOS3HTR3EHTR3BHTR3AHTR3D
SCHEMBL8861492 0.78 ESR1 (0.41) NR1I2NOS3NOS1NOS2CTBP2
SCHEMBL9445076 0.76 NOS3 (0.42) NOS3CES2CES1NOS1CTBP2
SCHEMBL10739455 0.76 NOS3 (0.42) HTTNOS3HTR3EHTR3BHTR3A
SCHEMBL7047625 0.76 NOS3 (0.59) NOS3HTR3EHTR3BHTR3AHTR3D
SCHEMBL2592 0.75 CES2 (0.43) NOS3CES2CES1NOS1NOS2
1,4-Dimethoxybenzene SCHEMBL27728279 0.74 NR1I2 (0.58) NR1I2HTTLDHACES2CES1
SCHEMBL9864483 0.73 F2RL1 (0.53) F2RL1KMT2A
SCHEMBL7153605 0.71 HTT (0.61) HTTLDHACTBP2F2RL1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8394974-B2 Process for producing optically active chromene oxide compound NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2013-03-12 US disclosed
EP-2003135-A9 PROCESS FOR PRODUCING OPTICALLY ACTIVE CHROMENE OXIDE COMPOUND Nissan Chemical Industries, Ltd. (JP) 2009-04-22 EP disclosed
US-20090043100-A1 Process for Producing Optically Active Chromene Oxide Compound NISSAN CHEMICAL INDUSTRIES, LTD (JP) 2009-02-12 US disclosed
EP-2003135-A2 PROCESS FOR PRODUCING OPTICALLY ACTIVE CHROMENE OXIDE COMPOUND Nissan Chemical Industries, Ltd. (JP) 2008-12-17 EP 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-20090043100-A1 Process for Producing Optically Active Chromene Oxide Compound CYP2C19, CYP2C9, CYP1A2 NR1I2 456/4885HTT 3547/4885LDHA 1822/4885

“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.