SCHEMBL18109265

SCHEMBL18109265

O=C(c1cccc(C#Cc2ccncc2)c1-c1cc(O)cc(Cl)c1)C(O)c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PTGDR2 Q9Y5Y4 1/20 0.36
▸ BRAF P15056 3/20 0.35
▸ NPC1 O15118 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ PTGES O14684 1/20 0.32
▸ AKR1C3 P42330 1/20 0.32
▸ CES2 O00748 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ CES1 P23141 1/20 0.31
▸ XIAP P98170 1/20 0.31
▸ BIRC2 Q13490 1/20 0.31
▸ AKR1C2 P52895 1/20 0.31
▸ AKR1C1 Q04828 1/20 0.31

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
SCHEMBL16719782 0.85 PTGDR2 (0.41) PTGDR2BRAFNPC1RAB9APTGES
SCHEMBL18109264 0.82 BRAF (0.37) PTGDR2BRAFPTGESAKR1C3CES2
SCHEMBL20011709 0.78 PTGDR2 (0.35) PTGDR2BRAFPTGESAKR1C3
SCHEMBL16720180 0.74 DHODH (0.37) PTGDR2NPC1RAB9AAKR1C2AKR1C1
SCHEMBL16719381 0.71 HAO1 (0.36) PTGDR2LMNA
SCHEMBL16720455 0.71 NPC1 (0.45) PTGDR2NPC1RAB9ALMNA
SCHEMBL16720829 0.69 NPC1 (0.49) NPC1RAB9ALMNAXIAPBIRC2
SCHEMBL16720351 0.67 NPC1 (0.38) PTGDR2NPC1RAB9AAKR1C3
SCHEMBL16720767 0.66 HAO1 (0.39) PTGDR2LMNA
SCHEMBL20011751 0.66 PIK3CD (0.32) —

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-9856214-B2 EBNA1 inhibitors and their method of use THE WISTAR INSTITUTE OF ANATOMY AND BIOLOGY (US) 2018-01-02 — — US disclosed
US-20160289185-A1 EBNA1 INHIBITORS AND THEIR METHOD OF USE NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-10-06 — — 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-20160289185-A1 EBNA1 INHIBITORS AND THEIR METHOD OF USE MCM5, EBNA1BP2, MLLT1 PTGDR2 4827/4885BRAF 2303/4885NPC1 515/4885

“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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