SCHEMBL20179453

SCHEMBL20179453

OCCCCCc1cc(F)ccc1OCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 1/20 0.52
ALDH1A1 P00352 1/20 0.49
HTR1A P08908 1/20 0.48
DRD2 P14416 1/20 0.48
PTGER1 P34995 2/20 0.47
PTGER4 P35408 2/20 0.47
PTGER3 P43115 2/20 0.47
PTGER2 P43116 2/20 0.47
LMNA P02545 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
MTNR1A P48039 2/20 0.45
MTNR1B P49286 2/20 0.45
LTA4H P09960 1/20 0.44
EPHX2 P34913 1/20 0.44
USP28 Q96RU2 1/20 0.44
USP25 Q9UHP3 1/20 0.44
FFAR1 O14842 1/20 0.44
FFAR4 Q5NUL3 1/20 0.44
ABCB1 P08183 1/20 0.44
ABCG2 Q9UNQ0 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
SCHEMBL18894534 0.89 HTR1A (0.53) HTR1ADRD2PTGER1PTGER4PTGER3
SCHEMBL24316909 0.85 PTGER1 (0.44) MGLLALDH1A1HTR1ADRD2PTGER1
SCHEMBL10683333 0.84 HTR1A (0.67) MGLLALDH1A1HTR1ADRD2PTGER1
SCHEMBL6216285 0.83 ELANE (0.53) ALDH1A1HTR1ADRD2LMNAL3MBTL1
SCHEMBL20006868 0.82 PTGER1 (0.44) MGLLHTR1ADRD2PTGER1PTGER4
SCHEMBL24316795 0.81 PTGER1 (0.46) MGLLALDH1A1HTR1ADRD2PTGER1
SCHEMBL28020148 0.80 HTR1A (0.53) MGLLALDH1A1HTR1ADRD2PTGER1
SCHEMBL16797594 0.80 HTR1A (0.53) ALDH1A1HTR1ADRD2LMNAL3MBTL1
SCHEMBL18697556 0.80 MGLL (0.45) MGLLALDH1A1HTR1ADRD2PTGER1
SCHEMBL8677649 0.80 PTGER1 (0.57) MGLLHTR1ADRD2PTGER1PTGER4

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-20180141926-A1 NEBIVOLOL SYNTHESIS METHOD AND INTERMEDIATE COMPOUND THEREOF ZHEJIANG AUSUN PHARMACEUTICAL CO., LTD. (CN) 2018-05-24 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-20180141926-A1 NEBIVOLOL SYNTHESIS METHOD AND INTERMEDIATE COMPOUND THEREOF CYP4A11, CYP11B2, ADRB1 MGLL 2046/4885ALDH1A1 401/4885HTR1A 1318/4885

“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.