SCHEMBL22916686

SCHEMBL22916686

CCCC#Cc1cc(OC)ccc1CC(=O)OC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 2/20 0.44
HPGD P15428 1/20 0.44
CTSL P07711 1/20 0.41
CTSB P07858 1/20 0.41
HSD17B10 Q99714 3/20 0.39
NPC1 O15118 1/20 0.39
TP53 P04637 1/20 0.39
RAB9A P51151 1/20 0.39
AKR1C3 P42330 2/20 0.38
LMNA P02545 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
MAPT P10636 1/20 0.38
CYP2C9 P11712 1/20 0.38
APEX1 P27695 1/20 0.38
CYP2C19 P33261 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL2437800 0.79 NPC1 (0.55) KDM4EALDH1A1HPGDHSD17B10NPC1
SCHEMBL7482556 0.76 KDM4E (0.48) KDM4EALDH1A1HPGDCTSLCTSB
SCHEMBL30336005 0.72 POLB (0.64) KDM4EALDH1A1HPGDHSD17B10NPC1
SCHEMBL6246865 0.72 MEN1 (0.59) KDM4EALDH1A1HPGDHSD17B10MTNR1A
SCHEMBL4674015 0.72 MEN1 (0.59) KDM4EALDH1A1HPGDHSD17B10MTNR1A
SCHEMBL2436724 0.72 ALDH1A1 (0.54) KDM4EALDH1A1HPGDHSD17B10AKR1C3
SCHEMBL3918324 0.72 ALDH1A1 (0.54) KDM4EALDH1A1HPGDHSD17B10NPC1
SCHEMBL30046118 0.72 ALDH1A1 (0.54) KDM4EALDH1A1HPGDHSD17B10AKR1C3
SCHEMBL6035480 0.72 POLB (0.64) KDM4EALDH1A1HPGDHSD17B10NPC1
SCHEMBL22916751 0.72 TAS1R3 (0.41) KDM4EALDH1A1HPGDCTSLCTSB

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-20210022338-A1 ALKYNE COMPOUND AND ARTHROPOD PEST CONTROL COMPOSITION CONTAINING SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2021-01-28 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-20210022338-A1 ALKYNE COMPOUND AND ARTHROPOD PEST CONTROL COMPOSITION CONTAINING SAME C5, C9, C3AR1 KDM4E 1111/4885ALDH1A1 1009/4885HPGD 3835/4885

“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.