SCHEMBL4240943

SCHEMBL4240943

COc1cc(C(=O)O)ccc1OC12CCCC(CC1)N2C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA4 P22748 1/20 0.49
CA6 P23280 1/20 0.49
CA7 P43166 1/20 0.49
TPMT P51580 1/20 0.49
CA9 Q16790 1/20 0.49
CA14 Q9ULX7 1/20 0.49
TSHR P16473 3/20 0.44
TTR P02766 2/20 0.42
CYP2D6 P10635 2/20 0.41
RARA P10276 2/20 0.41
RARB P10826 2/20 0.41
RARG P13631 2/20 0.41
HTT P42858 2/20 0.41
KDM2B Q8NHM5 1/20 0.40
CYP2C9 P11712 2/20 0.40
LMNA P02545 1/20 0.40
MAPK1 P28482 1/20 0.40

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
SCHEMBL4228142 0.87 RAB9A (0.47) CA12CA1CA2CA4CA6
SCHEMBL4233804 0.86 TAS1R3 (0.38) CA12CA1CA2CA4CA6
SCHEMBL4233471 0.73 MGLL (0.37) TSHR
SCHEMBL16544905 0.72 CA12 (0.67) CA12CA1CA2CA4CA6
SCHEMBL16533418 0.70 CA12 (0.59) CA12CA1CA2CA4CA6
Veratric Acid SCHEMBL114848 0.69 CA12 (1.00) CA12CA1CA2CA4CA6
Veratric Acid SCHEMBL976032 0.69 CA12 (1.00) CA12CA1CA2CA4CA6
Veratric Acid SCHEMBL29386353 0.69 CA12 (1.00) CA12CA1CA2CA4CA6
SCHEMBL13699186 0.69 CYP2D6 (0.69) CA12CA1CA2CA4CA6
SCHEMBL6799815 0.68 PDE4B (0.71) CA12CA1CA2CA4CA6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090233910-A1 Npy antagonists, preparation and uses CEREP (FR) 2009-09-17 US disclosed
EP-1879887-A2 NPY ANTAGONISTS, PREPARATION AND USE Cerep (FR) 2008-01-23 EP disclosed
WO-2006108965-A2 NPY ANTAGONISTS, PREPARATION AND USE CEREP (FR) 2006-10-19 WO 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-20090233910-A1 Npy antagonists, preparation and uses NPY1R, NPY5R, NPY2R CA12 4608/4885CA1 3873/4885CA2 2531/4885

“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.