SCHEMBL18310362

SCHEMBL18310362

CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c(NC(=O)CN)cccc3nc2-1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TOP1 P11387 18/20 1.00
▸ KDM4E B2RXH2 2/20 0.98
▸ POLB P06746 2/20 0.98
▸ MAPT P10636 2/20 0.98
▸ GLA P06280 2/20 0.98
▸ SMN1; SMN2 Q16637 2/20 0.98
▸ NPC1 O15118 1/20 0.98
▸ PAX8 Q06710 1/20 0.98
▸ HIF1A Q16665 1/20 0.98
▸ HSD17B10 Q99714 1/20 0.98
▸ RXFP1 Q9HBX9 1/20 0.98
▸ L3MBTL1 Q9Y468 1/20 0.98
▸ NCOA3 Q9Y6Q9 1/20 0.98
▸ RECQL P46063 2/20 0.75
▸ TDP1 Q9NUW8 2/20 0.75
▸ RAB9A P51151 1/20 0.75
▸ BLM P54132 1/20 0.75
▸ MEN1 O00255 1/20 0.73
▸ ALDH1A1 P00352 1/20 0.73
▸ KMT2A Q03164 1/20 0.73

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
SCHEMBL8738070 1.00 TOP1 (1.00) TOP1KDM4EPOLBMAPTGLA
Hydrochloric Acid SCHEMBL17476487 0.99 TOP1 (1.00) TOP1KDM4EPOLBMAPTGLA
SCHEMBL22844008 0.94 TOP1 (0.89) TOP1KDM4EPOLBMAPTGLA
SCHEMBL25932533 0.93 TOP1 (0.86) TOP1KDM4EPOLBMAPTGLA
SCHEMBL8078009 0.90 TOP1 (0.81) TOP1KDM4EPOLBMAPTGLA
SCHEMBL17285701 0.89 TOP1 (0.81) TOP1KDM4EPOLBMAPTGLA
SCHEMBL20503262 0.89 TOP1 (0.81) TOP1KDM4EPOLBMAPTGLA
SCHEMBL7626877 0.89 TOP1 (0.81) TOP1KDM4EPOLBMAPTGLA
SCHEMBL27434176 0.89 TOP1 (0.81) TOP1KDM4EPOLBMAPTGLA
SCHEMBL5323807 0.89 TOP1 (0.81) TOP1KDM4EPOLBMAPTGLA

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-20160361311-A1 LIGANDS THAT TARGET HEPATITIS C VIRUS E2 PROTEIN American University of Cairo (EG) 2016-12-15 — — US disclosed
US-20160361311-A1 LIGANDS THAT TARGET HEPATITIS C VIRUS E2 PROTEIN American University of Cairo (EG) 2016-12-15 — — 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-20160361311-A1 LIGANDS THAT TARGET HEPATITIS C VIRUS E2 PROTEIN CD81, HAVCR2, CTRL TOP1 2280/4885KDM4E 3806/4885POLB 3370/4885

“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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