SCHEMBL18782864

SCHEMBL18782864

CCCCCCCC(C)(CCCC)[C@@H](NC(=O)OC)C1CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.38
MBOAT4 Q96T53 1/20 0.35
GNAI3 P08754 1/20 0.34
GNAO1 P09471 1/20 0.34
GNAI1 P63096 1/20 0.34
CCR2 P41597 3/20 0.33
CCR1 P32246 1/20 0.33
CCR5 P51681 1/20 0.33
CXCR4 P61073 1/20 0.33
TP53 P04637 2/20 0.33
TSHR P16473 2/20 0.33
CTSK P43235 2/20 0.33
CTSS P25774 1/20 0.33
ZDHHC7 Q9NXF8 1/20 0.33
CNR1 P21554 2/20 0.32
CNR2 P34972 2/20 0.32
TRPV1 Q8NER1 1/20 0.32
BIRC2 Q13490 1/20 0.32
MAPT P10636 2/20 0.32
KDM4E B2RXH2 1/20 0.32

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
SCHEMBL19364543 0.90 CTSK (0.33) EPHX1CTSKCTSS
SCHEMBL18782858 0.78 EPHX1 (0.43) EPHX1MBOAT4TP53TSHRCTSK
SCHEMBL22361429 0.76 EPHX1 (0.44) EPHX1MBOAT4TP53TSHRCTSK
SCHEMBL19364704 0.75 EPHX1 (0.41) EPHX1MBOAT4TP53TSHRCTSK
SCHEMBL22361562 0.74 ACACB (0.31) CTSKCTSS
SCHEMBL18782625 0.74 EPHX1 (0.42) EPHX1MBOAT4TP53TSHRCTSK
SCHEMBL19364691 0.74 EPHX1 (0.42) EPHX1MBOAT4TP53TSHRCTSK
SCHEMBL22361405 0.73 CTSS (0.31) CTSKCTSS
SCHEMBL15113564 0.73 CTSS (0.31) CTSKCTSS
SCHEMBL16293241 0.73 CTSS (0.31) CTSKCTSS

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-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 (2 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 EPHX1 3368/4885MBOAT4 4128/4885GNAI3 903/4885
US-10017499-B2 Benzimidazole derivatives EIF2AK2, ZC3HAV1, ZC3HAV1L EPHX1 3215/4885MBOAT4 4077/4885GNAI3 861/4885

“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.