SCHEMBL7947648

SCHEMBL7947648

O=C(Nc1ccc(Oc2ccccc2)cc1)c1ccccc1-c1ccccc1C(=O)OCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNLIP P16233 1/20 0.56
PGR P06401 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
LMNA P02545 1/20 0.51
TP53 P04637 1/20 0.51
GAA P10253 2/20 0.50
MAPK1 P28482 2/20 0.50
MAPT P10636 1/20 0.50
POLB P06746 1/20 0.50
STK39 Q9UEW8 1/20 0.49
HDAC1 Q13547 1/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
SGMS2 Q8NHU3 1/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
ALDH1A1 P00352 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C9 P11712 1/20 0.49
ALOX12 P18054 1/20 0.49

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
SCHEMBL7937963 0.90 KDM4E (0.53) LMNAGAAMAPK1MAPTPOLB
SCHEMBL7946900 0.82 PNLIP (0.59) PNLIPPGRSMN1; SMN2LMNATP53
SCHEMBL7658212 0.82 PLAU (0.60) GAAKMT2ASGMS2RAB9AALDH1A1
SCHEMBL7665677 0.79 F10 (0.52) SMN1; SMN2GAAMAPTMEN1KMT2A
SCHEMBL7657281 0.78 F10 (0.52) SMN1; SMN2GAAMAPTSGMS2NPC1
SCHEMBL7660793 0.78 F2 (0.54) GAAPOLBMEN1KMT2AALDH1A1
SCHEMBL7674717 0.77 F2 (0.59) GAAPOLBMEN1KMT2AALDH1A1
SCHEMBL7654797 0.77 F2 (0.53)
SCHEMBL7663254 0.76 ALDH1A1 (0.47) SMN1; SMN2LMNAGAAMAPTMEN1
SCHEMBL27462412 0.76 SMN1; SMN2 (0.66) SMN1; SMN2LMNAMAPK1MAPTPOLB

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-8513295-B2 Viral and fungal inhibitors GEORGETOWN UNIVERSITY (US) 2013-08-20 US disclosed
US-20110301208-A1 VIRAL AND FUNGAL INHIBITORS WICHITA STATE UNIVERSITY (US) 2011-12-08 US disclosed
WO-2010039534-A2 VIRAL AND FUNGAL INHIBITORS GEORGETOWN UNIVERSITY (US) 2010-04-08 WO 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-20110301208-A1 VIRAL AND FUNGAL INHIBITORS HAVCR2, ZC3HAV1, ERG28 PNLIP 1794/4885PGR 4275/4885SMN1; SMN2 3519/4885

“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.