SCHEMBL5211157

SCHEMBL5211157

Clc1ccc(-c2coc(-c3ccccc3)n2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP3 O14638 3/20 0.62
ENPP1 P22413 2/20 0.62
SMO Q99835 2/20 0.57
HSD17B1 P14061 1/20 0.51
HSD17B2 P37059 1/20 0.51
CYP1A2 P05177 2/20 0.48
LTA4H P09960 1/20 0.47
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
HDAC1 Q13547 2/20 0.46
HDAC8 Q9BY41 2/20 0.46
HDAC6 Q9UBN7 2/20 0.46
KDM4E B2RXH2 2/20 0.46
LMNA P02545 1/20 0.46
GAA P10253 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
CTRC Q99895 1/20 0.45
ALDH1A1 P00352 3/20 0.44
ALDH1A3 P47895 1/20 0.44
S1PR1 P21453 1/20 0.43

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
SCHEMBL28474694 1.00 ENPP3 (0.62) ENPP3ENPP1SMOHSD17B1HSD17B2
SCHEMBL11566150 0.91 ENPP3 (0.72) ENPP3ENPP1SMOHSD17B1HSD17B2
SCHEMBL3271684 0.91 ENPP3 (0.72) ENPP3ENPP1SMOHSD17B1HSD17B2
SCHEMBL5664564 0.89 ENPP3 (0.75) ENPP3ENPP1SMOHSD17B1HSD17B2
SCHEMBL278182 0.89 ENPP3 (0.69) ENPP3ENPP1SMOHSD17B1HSD17B2
Benzene SCHEMBL16781371 0.89 ENPP3 (0.69) ENPP3ENPP1SMOHSD17B1HSD17B2
SCHEMBL31606598 0.87 ENPP3 (0.67) ENPP3ENPP1SMOHSD17B1HSD17B2
SCHEMBL28478085 0.84 HDAC1 (0.49) ENPP3ENPP1SMOHSD17B1HSD17B2
SCHEMBL2095342 0.84 HSD17B1 (0.62) ENPP3ENPP1SMOHSD17B1HSD17B2
SCHEMBL7221671 0.82 NPC1 (0.54) ENPP3ENPP1SMOHSD17B1HSD17B2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111925338-A Microwave preparation method of 2, 4-disubstituted oxazole compound 浙江工业大学 2020-11-13 CN disclosed
US-7183276-B2 Azole compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-02-27 US disclosed
US-20050090534-A1 Azole compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-04-28 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-20050090534-A1 Azole compounds AHR, NR0B2, NR2C2 ENPP3 4505/4885ENPP1 4628/4885SMO 1754/4885

“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.