SCHEMBL7799991

SCHEMBL7799991

NCCOc1ccccc1Cn1c(-c2ccccc2)cc2ccccc21

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.46
HPGD P15428 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
KMT2A Q03164 2/20 0.44
ALDH1A1 P00352 2/20 0.44
TP53 P04637 1/20 0.43
MAPK1 P28482 1/20 0.43
RAB9A P51151 1/20 0.43
HTR1B P28222 1/20 0.41
KDM4E B2RXH2 1/20 0.41
BACE1 P56817 2/20 0.39
MTNR1A P48039 1/20 0.39
MTNR1B P49286 1/20 0.39
ATM Q13315 1/20 0.39
TSHR P16473 1/20 0.38
PTGS2 P35354 1/20 0.38
NTRK1 P04629 1/20 0.38
NTRK3 Q16288 1/20 0.38
MCL1 Q07820 1/20 0.37

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
SCHEMBL437607 0.80 PTGS2 (0.48) L3MBTL1KMT2AALDH1A1BACE1PTGS2
SCHEMBL30534775 0.80 PTGS2 (0.48) L3MBTL1KMT2AALDH1A1BACE1PTGS2
SCHEMBL27540149 0.75 HTR1B (0.44) HPGDSMN1; SMN2KMT2AALDH1A1TP53
SCHEMBL6820709 0.74 L3MBTL1 (0.54) L3MBTL1KMT2AALDH1A1BACE1MTNR1A
Indole SCHEMBL8436345 0.74 ESR1 (0.42) L3MBTL1KMT2AALDH1A1PTGS2
SCHEMBL11558486 0.73 ALDH1A1 (0.65) L3MBTL1HPGDSMN1; SMN2KMT2AALDH1A1
Hydrochloric Acid SCHEMBL11555475 0.72 ALDH1A1 (0.63) L3MBTL1HPGDSMN1; SMN2KMT2AALDH1A1
SCHEMBL5075270 0.72 PTGS2 (0.53) L3MBTL1SMN1; SMN2KMT2AALDH1A1MTNR1A
SCHEMBL4887683 0.72 L3MBTL1 (0.61) L3MBTL1SMN1; SMN2KMT2AALDH1A1MTNR1A
SCHEMBL11689282 0.71 ALDH1A1 (0.61) L3MBTL1KMT2AALDH1A1BACE1MTNR1A

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-20010021719-A1 2-phenyl-1- [4- (2-aminoethoxy) - benzyl] - indoles as estrogenic agents WYETH 2001-09-13 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-20010021719-A1 2-phenyl-1- [4- (2-aminoethoxy) - benzyl] - indoles as estrogenic agents ESR1, ESR2, GPER1 L3MBTL1 4671/4885HPGD 177/4885SMN1; SMN2 4700/4885

“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.