SCHEMBL4183309

SCHEMBL4183309

c1ccc(CCc2ccccc2OCc2ccccc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 5/20 1.00
DRD2 P14416 5/20 1.00
ABCB1 P08183 13/20 0.81
ABCG2 Q9UNQ0 2/20 0.67
PTGER1 P34995 1/20 0.60
PTGER4 P35408 1/20 0.60
PTGER3 P43115 1/20 0.60
PTGER2 P43116 1/20 0.60

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
SCHEMBL9057460 0.89 HTR1A (0.79) HTR1ADRD2ABCB1ABCG2PTGER1
SCHEMBL17197391 0.88 HTR1A (0.79) HTR1ADRD2ABCB1ABCG2PTGER1
SCHEMBL2989204 0.88 HTR1A (0.77) HTR1ADRD2ABCB1ABCG2PTGER1
SCHEMBL15726355 0.86 PTGER1 (0.84) HTR1ADRD2ABCB1ABCG2PTGER1
SCHEMBL8406722 0.86 PTGER1 (0.84) HTR1ADRD2ABCB1ABCG2PTGER1
SCHEMBL13009602 0.85 HTR1A (0.74) HTR1ADRD2ABCB1ABCG2PTGER1
SCHEMBL23881745 0.85 HTR1A (0.73) HTR1ADRD2ABCB1ABCG2PTGER1
SCHEMBL3268053 0.85 HTR1A (0.73) HTR1ADRD2ABCB1ABCG2PTGER1
SCHEMBL10784832 0.85 HTR1A (0.73) HTR1ADRD2ABCB1ABCG2PTGER1
SCHEMBL7616541 0.85 HTR1A (0.73) HTR1ADRD2ABCB1ABCG2PTGER1

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-20090093493-A1 1-PHENYLALCOXY-2-BETA-PHENYLETHYL DERIVATIVES AS P-GLYCOPROTEIN (P-GP) INHIBITORS USEFUL IN DRUG RESISTANCE EVENTS UNIVERSITA DI PISA, 40% (IT) 2009-04-09 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-20090093493-A1 1-PHENYLALCOXY-2-BETA-PHENYLETHYL DERIVATIVES AS P-GLYCOPROTEIN (P-GP) INHIBITORS USEFUL IN DRUG RESISTANCE EVENTS ABCB1, ABCC1, ABCC2 HTR1A 2320/4885DRD2 1431/4885ABCB1 1/4885

“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.