SCHEMBL18845118

SCHEMBL18845118

COC(=O)CNC1CCCCCCC1

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 4/20 0.62
▸ NPSR1 Q6W5P4 1/20 0.48
▸ KDM4E B2RXH2 3/20 0.45
▸ POLB P06746 1/20 0.45
▸ DPP7 Q9UHL4 5/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ DPP4 P27487 6/20 0.42
▸ FAP Q12884 4/20 0.42
▸ EPHX1 P07099 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.41
▸ HPGD P15428 1/20 0.41

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
SCHEMBL2411177 1.00 EPHX2 (0.62) EPHX2NPSR1KDM4EPOLBDPP7
Hydrochloric Acid SCHEMBL75462 0.98 EPHX2 (0.61) EPHX2NPSR1KDM4EPOLBDPP7
SCHEMBL1977433 0.98 EPHX2 (0.59) EPHX2NPSR1KDM4EPOLBDPP7
Hydrochloric Acid SCHEMBL6871695 0.96 EPHX2 (0.58) EPHX2NPSR1KDM4EPOLBDPP7
Hydrochloric Acid SCHEMBL7131992 0.94 EPHX2 (0.57) EPHX2NPSR1KDM4EPOLBDPP7
SCHEMBL7440501 0.94 EPHX2 (0.55) EPHX2NPSR1KDM4EPOLBDPP7
SCHEMBL4450020 0.89 — —
Hydrochloric Acid SCHEMBL7134822 0.88 EPHX2 (0.51) EPHX2NPSR1KDM4EPOLBDPP7
Hydrochloric Acid SCHEMBL76321 0.87 EPHX2 (0.47) EPHX2KDM4EDPP7MEN1KMT2A
SCHEMBL1320792 0.82 KDM4E (0.56) EPHX2NPSR1KDM4EPOLBKMT2A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170128489-A1 ORGANO-TRANSITION METAL COMPLEXES FOR THE TREATMENT OF VIRAL INFECTIONS BRIGHAM YOUNG UNIVERSITY (US) 2017-05-11 — — 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-20170128489-A1 ORGANO-TRANSITION METAL COMPLEXES FOR THE TREATMENT OF VIRAL INFECTIONS HVCN1, TRPM8, TRPM2 EPHX2 4833/4885NPSR1 1494/4885KDM4E 3591/4885

“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.

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