SCHEMBL21583680

SCHEMBL21583680

C=Cc1ccccc1Oc1ccc(C(C)=O)cc1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.55
MAPT P10636 2/20 0.55
RAB9A P51151 1/20 0.55
GAA P10253 2/20 0.48
LMNA P02545 7/20 0.47
ALDH1A1 P00352 4/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
HTT P42858 4/20 0.46
KMT2A Q03164 2/20 0.45
MAOB P27338 2/20 0.43
L3MBTL1 Q9Y468 3/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
PARP10 Q53GL7 1/20 0.42
NPSR1 Q6W5P4 2/20 0.41
POLB P06746 1/20 0.41

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
SCHEMBL20179255 0.86 LMNA (0.49) HPGDMAPTGAALMNAALDH1A1
SCHEMBL18656997 0.83 GAA (0.54) HPGDMAPTRAB9AGAALMNA
SCHEMBL18627999 0.83 GAA (0.54) HPGDMAPTRAB9AGAALMNA
SCHEMBL18628000 0.83 GAA (0.54) HPGDMAPTRAB9AGAALMNA
SCHEMBL18656991 0.82 LMNA (0.45) HPGDMAPTGAALMNAALDH1A1
SCHEMBL18656977 0.79 ALDH1A1 (0.46) HPGDMAPTRAB9AGAALMNA
SCHEMBL13679391 0.79 RAB9A (0.60) HPGDMAPTRAB9AGAAALDH1A1
SCHEMBL9861909 0.78 MAPT (0.64) HPGDMAPTRAB9AGAALMNA
SCHEMBL12516805 0.78 ALDH1A1 (0.69) HPGDMAPTGAALMNAALDH1A1
SCHEMBL6033676 0.78 LMNA (0.63) HPGDMAPTGAALMNAALDH1A1

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-20190367652-A1 ASYMMETRICALLY SUBSTITUTED BIS-ALKENYL DIPHENYL ETHERS, THEIR PREPARATION AND USE EVONIK TECHNOCHEMIE GMBH (DE) 2019-12-05 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-20190367652-A1 ASYMMETRICALLY SUBSTITUTED BIS-ALKENYL DIPHENYL ETHERS, THEIR PREPARATION AND USE ITGB3, C9, CBR3 HPGD 1007/4885MAPT 647/4885RAB9A 4519/4885

“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.