SCHEMBL4888697

SCHEMBL4888697

CCCCCCCCCCCCCOc1cccnc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 5/20 0.62
CHRNA4 P43681 5/20 0.62
CYP2C9 P11712 2/20 0.61
CYP2C19 P33261 2/20 0.61
CYP3A4 P08684 1/20 0.61
CYP2D6 P10635 1/20 0.61
CYP19A1 P11511 1/20 0.61
LMNA P02545 3/20 0.59
NFKB1 P19838 2/20 0.59
NFKB2 Q00653 2/20 0.59
RELA Q04206 2/20 0.59
NPC1 O15118 1/20 0.59
POLB P06746 1/20 0.59
MAPT P10636 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
KMT2A Q03164 1/20 0.58
CYP1A2 P05177 1/20 0.52
TSHR P16473 1/20 0.52
FAAH O00519 1/20 0.52
TDP1 Q9NUW8 1/20 0.51

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
SCHEMBL3229561 1.00 CHRNB2 (0.62) CHRNB2CHRNA4CYP2C9CYP2C19CYP3A4
SCHEMBL19055583 1.00 CHRNB2 (0.62) CHRNB2CHRNA4CYP2C9CYP2C19CYP3A4
SCHEMBL9367178 1.00 CHRNB2 (0.62) CHRNB2CHRNA4CYP2C9CYP2C19CYP3A4
SCHEMBL30542607 1.00 CHRNB2 (0.62) CHRNB2CHRNA4CYP2C9CYP2C19CYP3A4
Hydrochloric Acid SCHEMBL29969480 0.98 CHRNB2 (0.60) CHRNB2CHRNA4CYP2C9CYP2C19CYP3A4
SCHEMBL20730105 0.98 CHRNB2 (0.64) CHRNB2CHRNA4CYP2C9CYP2C19CYP3A4
SCHEMBL422229 0.93 CYP2C9 (0.70) CHRNB2CHRNA4CYP2C9CYP2C19CYP3A4
SCHEMBL2270699 0.89 LMNA (0.61) CHRNB2CHRNA4CYP2C9CYP2C19CYP3A4
SCHEMBL171896 0.87 CHRNB2 (0.68) CHRNB2CHRNA4CYP2C9CYP2C19CYP3A4
SCHEMBL30338591 0.87 CHRNB2 (0.68) CHRNB2CHRNA4CYP2C9CYP2C19CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080064898-A1 Method for Producing Oxygen-Containing Compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2008-03-13 US disclosed
EP-1797953-A1 PROCESS FOR PRODUCING OXYGENIC COMPOUND Sumitomo Chemical Company, Limited (JP) 2007-06-20 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-20080064898-A1 Method for Producing Oxygen-Containing Compound AOC2, AOX1, CAT CHRNB2 3058/4885CHRNA4 4110/4885CYP2C9 397/4885

“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.