SCHEMBL16734746

SCHEMBL16734746

CCOC(=O)c1cccc(-c2cncc3cc(C=O)oc23)c1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.58
POLB P06746 1/20 0.58
HPGD P15428 1/20 0.58
NPC1 O15118 4/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
RAB9A P51151 3/20 0.44
ALDH1A1 P00352 3/20 0.44
MAPT P10636 2/20 0.44
BRAF P15056 1/20 0.43
KDM4E B2RXH2 1/20 0.43
HSP90AA1 P07900 1/20 0.43
PRKDC P78527 1/20 0.42
BTK Q06187 1/20 0.40
ITK Q08881 1/20 0.40
LMNA P02545 1/20 0.40

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
SCHEMBL1854408 0.84 HPGD (0.46) TP53POLBHPGDNPC1SMN1; SMN2
SCHEMBL1853489 0.83 NPC1 (0.46) TP53POLBHPGDNPC1SMN1; SMN2
SCHEMBL16733080 0.82 TP53 (0.44) TP53POLBHPGDNPC1SMN1; SMN2
SCHEMBL1856053 0.77 GPR52 (0.56) TP53POLBHPGDNPC1SMN1; SMN2
SCHEMBL16733856 0.76 RXRA (0.39) SMN1; SMN2ALDH1A1MAPT
SCHEMBL29617015 0.71 TP53 (0.62) TP53POLBHPGDNPC1SMN1; SMN2
SCHEMBL706743 0.70 POLB (0.70) TP53POLBHPGDNPC1SMN1; SMN2
SCHEMBL4193217 0.69 TP53 (0.61) TP53POLBHPGD
SCHEMBL20068150 0.69 TP53 (0.62) TP53POLBHPGDSMN1; SMN2ALDH1A1
SCHEMBL24526900 0.69 TP53 (0.49) TP53POLBHPGDNPC1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9493478-B2 Fused ring compound containing furan or salt thereof and pharmaceutical composition comprising same YUHAN CORPORATION (KR) 2016-11-15 US disclosed
US-20150191478-A1 FUSED RING COMPOUND CONTAINING FURAN OR SALT THEREOF AND PHARMACEUTICAL COMPOSITION COMPRISING SAME YUHAN CORPORATION (KR) 2015-07-09 US disclosed
EP-2876109-A1 FUSED RING COMPOUND CONTAINING FURAN OR SALT THEREOF AND PHARMACEUTICAL COMPOSITION COMPRISING SAME Yuhan Corporation (KR) 2015-05-27 EP 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-20150191478-A1 FUSED RING COMPOUND CONTAINING FURAN OR SALT THEREOF AND PHARMACEUTICAL COMPOSITION COMPRISING SAME PIK3CD, PIK3CA, MTOR TP53 1078/4885POLB 3745/4885HPGD 1688/4885

“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.