SCHEMBL17830469

SCHEMBL17830469

CCCCCCCCOC[C@@H]1CCCN1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
TLR2 O60603 2/20 0.42
CHRNB2 P17787 4/20 0.40
CHRNA4 P43681 3/20 0.40
CHRNA2 Q15822 3/20 0.40
CHRNB4 P30926 3/20 0.40
CHRNA3 P32297 3/20 0.40
PRCP P42785 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL19443246 1.00 ALDH1A1 (0.49) ALDH1A1TDP1TLR2CHRNB2CHRNA4
SCHEMBL13610210 1.00 ALDH1A1 (0.49) ALDH1A1TDP1TLR2CHRNB2CHRNA4
SCHEMBL24805404 0.98 ALDH1A1 (0.46) ALDH1A1TDP1TLR2CHRNB2CHRNA4
SCHEMBL13610212 0.95 ALDH1A1 (0.47) ALDH1A1TDP1TLR2CHRNB2CHRNA4
SCHEMBL12996851 0.93 SMN1; SMN2 (0.46) CHRNB2CHRNA4CHRNA2CHRNB4CHRNA3
SCHEMBL10273868 0.89 CHRNA3 (0.44) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL25883074 0.89 CHRNA3 (0.44) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL10273859 0.89 CHRNA3 (0.44) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL23133816 0.87 SMN1; SMN2 (0.44) CHRNB2CHRNA4SMN1; SMN2
SCHEMBL23168479 0.81 ALDH1A1 (0.55) ALDH1A1TDP1SMN1; SMN2

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-9981935-B2 Formation of chiral 4-chromanones using chiral pyrrolidines in the presence of acids DSM IP ASSETS B.V. (NL) 2018-05-29 US disclosed
US-9815809-B2 Formation of chiral 4-chromanones using chiral pyrrolidines in the presence of phenols or thiophenols DSM IP ASSETS B.V. (NL) 2017-11-14 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
US-20160168110-A1 FORMATION OF CHIRAL 4-CHROMANONES USING CHIRAL PYRROLIDINES IN THE PRESENCE OF ACIDS 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 (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-20160168111-A1 FORMATION OF CHIRAL 4-CHROMANONES USING CHIRAL PYRROLIDINES IN THE PRESENCE OF PHENOLS OR THIOPHENOLS CYP4B1, CYP4F3, CYP4F2 ALDH1A1 986/4885TDP1 2015/4885TLR2 3643/4885
US-20160168110-A1 FORMATION OF CHIRAL 4-CHROMANONES USING CHIRAL PYRROLIDINES IN THE PRESENCE OF ACIDS CROCC, CBR3, HCCS ALDH1A1 1779/4885TDP1 1028/4885TLR2 4822/4885

“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.