SCHEMBL18782830

SCHEMBL18782830

CCN(C)c1ccc(OC(C)C)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A3 P47895 1/20 0.47
LMNA P02545 3/20 0.44
MAPT P10636 2/20 0.44
ALDH1A1 P00352 2/20 0.44
KDM4E B2RXH2 1/20 0.44
TP53 P04637 1/20 0.44
MCL1 Q07820 1/20 0.44
HSD17B10 Q99714 1/20 0.44
CNR2 P34972 1/20 0.42
ADRA2A P08913 1/20 0.42
ADRA2B P18089 1/20 0.42
ADRA2C P18825 1/20 0.42
POLB P06746 1/20 0.42
KMT2A Q03164 1/20 0.41
NPSR1 Q6W5P4 1/20 0.40
PARP10 Q53GL7 1/20 0.40
TSPO P30536 2/20 0.39
EGFR P00533 1/20 0.38
PDGFRB P09619 1/20 0.38
PDGFRA P16234 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
SCHEMBL15704269 0.82 MAPT (0.49) ALDH1A3LMNAMAPTALDH1A1KDM4E
SCHEMBL16707225 0.82 CNR2 (0.56) ALDH1A3LMNAMAPTALDH1A1KDM4E
SCHEMBL13154968 0.79 ALDH1A1 (0.62) ALDH1A3LMNAMAPTALDH1A1KDM4E
SCHEMBL10330355 0.78 ADRA2A (0.58) ALDH1A3MAPTALDH1A1KDM4EHSD17B10
SCHEMBL4745147 0.77 CA1 (0.50) MAPTALDH1A1KDM4ETP53HSD17B10
SCHEMBL20226528 0.75 LMNA (0.46) ALDH1A3LMNAMAPTALDH1A1KDM4E
SCHEMBL10121182 0.75 LMNA (0.46) ALDH1A3LMNAMAPTALDH1A1KDM4E
Hydrochloric Acid SCHEMBL3654830 0.75 CA12 (0.48) MAPTALDH1A1KDM4ETP53HSD17B10
SCHEMBL125543 0.75 ALDH1A3 (0.64) ALDH1A3LMNAALDH1A1TP53POLB
SCHEMBL10047613 0.73 MAPT (0.45) ALDH1A3LMNAMAPTALDH1A1KDM4E

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
US-10752611-B2 Benzimidazole derivatives ENANTA PHARMACEUTICALS, INC. (US) 2020-08-25 US disclosed
US-10017499-B2 Benzimidazole derivatives ENANTA PHARMACEUTICALS, INC. (US) 2018-07-10 US disclosed
US-20170114046-A1 NOVEL BENZIMIDAZOLE DERIVATIVES ENANTA PHARM INC (US) 2017-04-27 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 (3 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-20170114046-A1 NOVEL BENZIMIDAZOLE DERIVATIVES EIF2AK2, ZC3HAV1, HAVCR2 ALDH1A3 997/4885LMNA 3064/4885MAPT 4471/4885
US-10017499-B2 Benzimidazole derivatives EIF2AK2, ZC3HAV1, ZC3HAV1L ALDH1A3 917/4885LMNA 2786/4885MAPT 4391/4885
US-10752611-B2 Benzimidazole derivatives EIF2AK2, ZC3HAV1, ZC3HAV1L ALDH1A3 917/4885LMNA 2786/4885MAPT 4391/4885

“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.