SCHEMBL23278570

SCHEMBL23278570

CCCCc1cccc(CC(C)C)n1

nearest known ligand 0.63

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.63
LTB4R Q15722 2/20 0.38
CTSS P25774 1/20 0.36
CTSK P43235 1/20 0.36
NOS2 P35228 2/20 0.36
NOS1 P29475 1/20 0.35
CYP19A1 P11511 3/20 0.35
GABRA1 P14867 1/20 0.34
GABRB2 P47870 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL6069599 0.93 KCNH2 (0.76) KCNH2LTB4RCYP19A1
SCHEMBL18924306 0.89 KCNH2 (0.52) KCNH2LTB4RCTSSCTSKNOS2
SCHEMBL1404092 0.86 KCNH2 (0.83) KCNH2NOS2NOS1GABRA1GABRB2
SCHEMBL3625374 0.84 GABRA1 (0.44) KCNH2NOS2NOS1GABRA1GABRB2
SCHEMBL10119370 0.84 KCNH2 (0.52) KCNH2LTB4RNOS2NOS1GABRA1
SCHEMBL14234024 0.82 KCNH2 (0.76) KCNH2NOS2NOS1GABRA1GABRB2
SCHEMBL23140220 0.81 KCNH2 (0.42) KCNH2LTB4RNOS2NOS1GABRA1
SCHEMBL19182788 0.80 CYP1A2 (0.47) KCNH2NPSR1
SCHEMBL12641681 0.80 KCNH2 (0.41) KCNH2NOS2NOS1GABRA1GABRB2
SCHEMBL12445671 0.80 KCNH2 (0.73) KCNH2NOS2NOS1GABRA1GABRB2

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-20210299271-A1 CONJUGATES COMPRISING CELL-BINDING AGENTS AND CYTOTOXIC AGENTS IMMUNOGEN, INC. 2021-09-30 US disclosed
US-10988531-B2 Conjugates comprising cell-binding agents and cytotoxic agents IMMUNOGEN, INC. (US) 2021-04-27 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-10988531-B2 Conjugates comprising cell-binding agents and cytotoxic agents PCNA, EPCAM, MKI67 KCNH2 4468/4885LTB4R 1101/4885CTSS 2123/4885
US-20210299271-A1 CONJUGATES COMPRISING CELL-BINDING AGENTS AND CYTOTOXIC AGENTS PCNA, EPCAM, MKI67 KCNH2 4468/4885LTB4R 1101/4885CTSS 2123/4885

“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.