SCHEMBL4499893

SCHEMBL4499893

COc1cccc(Cc2cc(O)ccc2-c2ccccc2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.48
BACE1 P56817 1/20 0.46
CYP11B1 P15538 1/20 0.45
CYP11B2 P19099 1/20 0.45
IDO1 P14902 2/20 0.45
AGXT P21549 2/20 0.45
ABCB1 P08183 1/20 0.45
HTR1A P08908 1/20 0.45
DRD2 P14416 1/20 0.45
GABRA1 P14867 1/20 0.44
GABRG2 P18507 1/20 0.44
GABRB3 P28472 1/20 0.44
GABRA3 P34903 1/20 0.44
GABRA2 P47869 1/20 0.44
GABRB2 P47870 1/20 0.44
CD74 P04233 1/20 0.44
MIF P14174 1/20 0.44
DHFR P00374 1/20 0.44
ESR2 Q92731 1/20 0.44
ALOX5 P09917 1/20 0.44

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
SCHEMBL1071089 0.82 ALOX5 (0.61) BACE1CYP11B1CYP11B2ESR2ALOX5
SCHEMBL228848 0.81 CD74 (0.50) MAOBIDO1AGXTABCB1CD74
SCHEMBL2863552 0.77 ALOX5 (0.65) BACE1ESR2ALOX5
SCHEMBL226216 0.76 MAOB (0.56) MAOBIDO1AGXTDHFRESR2
SCHEMBL2580809 0.76 CALM1 (0.53) IDO1AGXTABCB1HTR1ADRD2
SCHEMBL2092574 0.75 LTA4H (0.67) MAOBIDO1AGXTSIGMAR1
SCHEMBL31739258 0.75 LTA4H (0.67) MAOBIDO1AGXTSIGMAR1
SCHEMBL228627 0.75 MAOB (0.58) MAOBABCB1HTR1ADRD2
SCHEMBL4652547 0.74 PDE1A (0.47) ESR2ALOX5
Biphenyl SCHEMBL28999514 0.73 ESR1 (0.56) MAOBBACE1ABCB1GABRA1GABRG2

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-7612114-B2 Such as (R)-6-{2-{ethyl[4-(2-ethylaminoethyl)benzyl]amino }-4-methoxyphenyl }-5,6,7,8-tetrahydronaphthalen-2-ol; osteoporosis; breast cancer EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-11-03 US disclosed
US-20060116364-A1 Such as (R)-6-{2-{ethyl[4-(2-ethylaminoethyl)benzyl]amino }-4-methoxyphenyl }-5,6,7,8-tetrahydronaphthalen-2-ol; osteoporosis; breast cancer EISAI CO., LTD. (JP) 2006-06-01 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-20060116364-A1 Such as (R)-6-{2-{ethyl[4-(2-ethylaminoethyl)benzyl]amino }-4-methoxyphenyl }-5,6,7,8-tetrahydronaphthalen-2-ol; osteoporosis; breast cancer BRCA1, BCR, RCC1 MAOB 4319/4885BACE1 1518/4885CYP11B1 958/4885

“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.