SCHEMBL11058665

SCHEMBL11058665

CCCCCC(CC)NC1CCCCC1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 9/20 0.40
SIGMAR1 Q99720 3/20 0.40
EPHX2 P34913 2/20 0.39
SHBG P04278 1/20 0.38
KDM4E B2RXH2 1/20 0.37
CYP1A2 P05177 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL28785546 0.98 SIGMAR1 (0.42) EPHX1SIGMAR1EPHX2SHBGKDM4E
SCHEMBL24065663 0.96 SIGMAR1 (0.40) EPHX1SIGMAR1EPHX2KDM4EMEN1
SCHEMBL11055827 0.94 SIGMAR1 (0.39) EPHX1SIGMAR1EPHX2SHBGKDM4E
SCHEMBL20093646 0.92 EPHX1 (0.42) EPHX1SIGMAR1EPHX2CYP1A2MEN1
SCHEMBL11858592 0.91 SIGMAR1 (0.45) EPHX1SIGMAR1EPHX2CYP1A2KMT2A
SCHEMBL24704673 0.91 SIGMAR1 (0.45) EPHX1SIGMAR1EPHX2CYP1A2KMT2A
SCHEMBL18520254 0.91 SIGMAR1 (0.45) EPHX1SIGMAR1EPHX2CYP1A2KMT2A
SCHEMBL24704621 0.91 SIGMAR1 (0.45) EPHX1SIGMAR1EPHX2CYP1A2KMT2A
SCHEMBL19245329 0.91 SIGMAR1 (0.45) EPHX1SIGMAR1EPHX2CYP1A2KMT2A
SCHEMBL27540335 0.89 EPHX1 (0.40) EPHX1SIGMAR1EPHX2CYP1A2

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-20230143470-A1 SMALL MOLECULE INHIBITORS OF INFLUENZA HEMAGGLUTININ NATIONAL INSTITUTES OF HEALTH 2023-05-11 US disclosed
CN-1898317-B Composition and method for controlling crystallization rate of polyolefin-based resin, resin composition, and resin molded article NEW JAPAN CHEM CO LTD 2010-11-24 CN disclosed
US-4459424-A SECONDARY AMINE, CARBON DISULFIDE, METAL CONTAINING CATALYST AKZONA INCORPORATED (US) 1984-07-10 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-20230143470-A1 SMALL MOLECULE INHIBITORS OF INFLUENZA HEMAGGLUTININ HAVCR2, CD44, ENGASE EPHX1 1345/4885SIGMAR1 4015/4885EPHX2 2448/4885

“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.