SCHEMBL19400548

SCHEMBL19400548

CC(=O)N(C)C1CCCCC1C

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.39
S1PR3 Q99500 5/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA4 P22748 1/20 0.36
S1PR1 P21453 3/20 0.33
GAA P10253 1/20 0.32
TSHR P16473 1/20 0.31
LIPE Q05469 1/20 0.30
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL15731643 0.96 EPHX1 (0.34) EPHX1S1PR3CA1CA2CA4
SCHEMBL15731645 0.86
SCHEMBL283047 0.86 ALDH1A1 (0.33) GAATSHRALDH1A1
SCHEMBL283046 0.86 ALDH1A1 (0.33) GAATSHRALDH1A1
SCHEMBL284320 0.86 ALDH1A1 (0.33) GAATSHRALDH1A1
SCHEMBL8977208 0.81 EPHX1 (0.38) EPHX1S1PR3CA1CA2CA4
SCHEMBL15223835 0.80 SIGMAR1 (0.32) EPHX1ALDH1A1
Hydrochloric Acid SCHEMBL27528154 0.79 EPHX1 (0.45) EPHX1S1PR3CA1CA2CA4
SCHEMBL13191373 0.78 TAS1R3 (0.37) EPHX1S1PR3CA1CA2CA4
SCHEMBL24260119 0.77 THRB (0.36) CA1CA2

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-20170333567-A1 Novel Conjugates of CC-1065 Analogs and Bifunctional Linkers SYNTARGA BV (NL) 2017-11-23 US disclosed
US-20170274090-A1 Novel Conjugates of CC-1065 Analogs and Bifunctional Linkers SYNTARGA BV (NL) 2017-09-28 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 (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-20170274090-A1 Novel Conjugates of CC-1065 Analogs and Bifunctional Linkers PCNA, DCLRE1A, CDC5L EPHX1 2864/4885S1PR3 1897/4885CA1 447/4885
US-20170333567-A1 Novel Conjugates of CC-1065 Analogs and Bifunctional Linkers PCNA, DCLRE1A, CDC5L EPHX1 2864/4885S1PR3 1897/4885CA1 447/4885

“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.