SCHEMBL6476465

SCHEMBL6476465

CC(=O)c1ccc2c(c1O)CC(CO)CO2

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.42
DRD2 P14416 1/20 0.40
MTNR1A P48039 4/20 0.39
ALDH1A1 P00352 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
KDM4E B2RXH2 1/20 0.32

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
SCHEMBL6476567 0.84 MAPK1 (0.35) MAPK1DRD2MTNR1A
SCHEMBL10829319 0.81 MAPK1 (0.48) MAPK1DRD2MTNR1AALDH1A1CYP1A2
SCHEMBL10829944 0.78 MAPK1 (0.42) MAPK1DRD2MTNR1AALDH1A1KDM4E
SCHEMBL10829330 0.77 MAPK1 (0.50) MAPK1DRD2MTNR1AALDH1A1CYP1A2
SCHEMBL25604634 0.77 DRD2 (0.38) MAPK1DRD2ALDH1A1CYP1A2CYP2D6
SCHEMBL4363300 0.72 PRKAB2 (0.38) MAPK1DRD2MTNR1AALDH1A1CYP1A2
SCHEMBL4367785 0.72 PRKAB2 (0.38) MAPK1DRD2MTNR1AALDH1A1CYP1A2
SCHEMBL10025493 0.71 MTNR1A (0.34) DRD2MTNR1A
SCHEMBL24992266 0.69 KDM4E (0.36) MAPK1DRD2MTNR1AALDH1A1CYP1A2
SCHEMBL30931199 0.69 KDM4E (0.36) MAPK1DRD2MTNR1AALDH1A1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050085475-A1 Azabicyclylmethyl derivatives of 7,8-dihydro-1,6,9,-trioxa-3-aza-cyclopenta[a]naphthalene as 5-ht1a antagonists WYETH (US) 2005-04-21 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-20050085475-A1 Azabicyclylmethyl derivatives of 7,8-dihydro-1,6,9,-trioxa-3-aza-cyclopenta[a]naphthalene as 5-ht1a antagonists HTR1A, HTR5A, HTR1B MAPK1 3707/4885DRD2 224/4885MTNR1A 24/4885

“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.