SCHEMBL5859438

SCHEMBL5859438

O=COCCC(c1ccccc1)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 6/20 0.45
HTR2A P28223 6/20 0.42
KCNH2 Q12809 3/20 0.40
MTNR1A P48039 1/20 0.39
MTNR1B P49286 1/20 0.39
TAAR1 Q96RJ0 1/20 0.38
EPHX2 P34913 1/20 0.38
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38
CYP2D6 P10635 2/20 0.37
CYP3A4 P08684 2/20 0.37
CYP2C19 P33261 2/20 0.37
CHRM2 P08172 1/20 0.37
HTR1A P08908 1/20 0.37
ADRA2A P08913 1/20 0.37
ADORA3 P0DMS8 1/20 0.37
CHRM1 P11229 1/20 0.37
SMPD1 P17405 1/20 0.37
DRD1 P21728 1/20 0.37
TBXA2R P21731 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
SCHEMBL27995093 0.82 KDM4E (0.47) LMNAALDH1A1SMN1; SMN2
SCHEMBL9572888 0.82 RIPK1 (0.47) TAAR1ALDH1A1
SCHEMBL29289269 0.82 SLC6A2 (0.54) HRH1HTR2AKCNH2CYP2D6CYP3A4
SCHEMBL8831506 0.81 HRH1 (0.46) HRH1HTR2AKCNH2MTNR1AMTNR1B
SCHEMBL20033772 0.80 SLC6A2 (0.41) CYP2D6CHRM2ADRA2ASLC6A2SLC6A4
SCHEMBL9572986 0.80 CCR5 (0.40) MTNR1AMTNR1BTAAR1CYP2D6CHRM2
SCHEMBL19669395 0.80 SLC6A2 (0.41) CYP2D6CHRM2ADRA2ASLC6A2SLC6A4
SCHEMBL2927957 0.78 CA12 (0.42) HRH1HTR2ATAAR1CYP2D6CYP1A2
SCHEMBL9572901 0.78 AOC3 (0.36) MTNR1AMTNR1BCYP2D6OPRM1LMNA
SCHEMBL3490105 0.77 GSR (0.38) CNR1CNR2DRD3LMNAALDH1A1

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-7030239-B2 Compounds to treat Alzheimer's disease ELAN PHARMACEUTICALS, INC. (US) 2006-04-18 US disclosed
US-20040214846-A1 Compounds to treat Alzheimer's disease ELAN PHARMACEUTICALS, INC. 2004-10-28 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-20040214846-A1 Compounds to treat Alzheimer's disease PSEN1, PSEN2, BACE1 HRH1 473/4885HTR2A 1309/4885KCNH2 3490/4885

“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.