SCHEMBL17830468

SCHEMBL17830468

Cc1cccc(C)c1OC[C@@H]1CCCN1

nearest known ligand 0.59

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.58
CHRNA4 P43681 1/20 0.58
CHRNB4 P30926 4/20 0.57
CHRNA3 P32297 4/20 0.57
LTA4H P09960 2/20 0.51
CHRNA5 P30532 1/20 0.50

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
SCHEMBL10564592 0.95 LTA4H (0.55) CHRNB2CHRNA4CHRNB4CHRNA3LTA4H
Hydrochloric Acid SCHEMBL10567449 0.94 LTA4H (0.54) CHRNB2CHRNA4CHRNB4CHRNA3LTA4H
SCHEMBL10326531 0.83 CHRNB4 (0.73) CHRNB2CHRNA4CHRNB4CHRNA3LTA4H
SCHEMBL10326918 0.83 CHRNB4 (0.73) CHRNB2CHRNA4CHRNB4CHRNA3LTA4H
SCHEMBL10326970 0.83 CHRNB4 (0.73) CHRNB2CHRNA4CHRNB4CHRNA3LTA4H
SCHEMBL14499009 0.81 SCN4A (0.43)
SCHEMBL13717874 0.80 ALDH1A1 (0.47) LTA4H
SCHEMBL24388985 0.80 CHRNB2 (0.54) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA5
SCHEMBL29007952 0.79 CHRNB2 (0.68) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA5
SCHEMBL30181400 0.79 CHRNB2 (0.68) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA5

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-20160168111-A1 FORMATION OF CHIRAL 4-CHROMANONES USING CHIRAL PYRROLIDINES IN THE PRESENCE OF PHENOLS OR THIOPHENOLS DSM IP ASSETS B.V. (NL) 2016-06-16 US disclosed
US-20160168111-A1 FORMATION OF CHIRAL 4-CHROMANONES USING CHIRAL PYRROLIDINES IN THE PRESENCE OF PHENOLS OR THIOPHENOLS DSM IP ASSETS B.V. (NL) 2016-06-16 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-20160168111-A1 FORMATION OF CHIRAL 4-CHROMANONES USING CHIRAL PYRROLIDINES IN THE PRESENCE OF PHENOLS OR THIOPHENOLS CYP4B1, CYP4F3, CYP4F2 CHRNB2 2244/4885CHRNA4 1840/4885CHRNB4 1832/4885

“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.