SCHEMBL7802113

SCHEMBL7802113

CCc1ccc(Oc2cc3c(cc2C=O)OCO3)c(C(=O)O)c1Oc1ccc2c(c1)OCO2

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.43
HPGD P15428 1/20 0.43
TDP1 Q9NUW8 2/20 0.39
KMT2A Q03164 7/20 0.38
MAPT P10636 3/20 0.37
ERN1 O75460 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
MEN1 O00255 3/20 0.36
ALDH1A1 P00352 4/20 0.36
MAPK1 P28482 2/20 0.35
KDM4E B2RXH2 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL7802183 0.81 KDM4E (0.48) HPGDKMT2AMEN1ALDH1A1KDM4E
SCHEMBL7799670 0.78 MAPT (0.48) LMNAHPGDTDP1KMT2AMAPT
SCHEMBL7797675 0.76 KMT2A (0.43) HPGDKMT2AMAPTMEN1ALDH1A1
SCHEMBL7797642 0.74 MAOB (0.39) LMNATDP1KMT2AMAPTALDH1A1
SCHEMBL7799750 0.73 MAOB (0.42) KMT2AMAPTMEN1KDM4ENPC1
SCHEMBL7799225 0.72 LMNA (0.46) LMNAKMT2AMAPTALDH1A1MAPK1
SCHEMBL7799223 0.72 LMNA (0.46) LMNAKMT2AMAPTALDH1A1MAPK1
SCHEMBL7799669 0.71 MAPT (0.46) LMNAHPGDKMT2AMAPTMEN1
SCHEMBL795101 0.70 MAOB (0.50) LMNAHPGDKMT2AMAPTALDH1A1
SCHEMBL7799699 0.69 TSHR (0.44) KMT2AALDH1A1MAPK1NPC1RAB9A

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-20010014694-A1 Substituted phenyl compounds and derivatives thereof that modulate the activity of endothelin ENCYSIVE PHARMACEUTICALS, INC. 2001-08-16 US disclosed
US-6265428-B1 VASODILATION TEXAS BIOTECHNOLOGY CORPORATION 2001-07-24 US disclosed
US-5977117-A Substituted phenyl compounds and derivatives thereof that modulate the activity of endothelin TEXAS BIOTECHNOLOGY CORPORATION (US) 1999-11-02 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-20010014694-A1 Substituted phenyl compounds and derivatives thereof that modulate the activity of endothelin EDNRA, EDNRB, NPR1 LMNA 1173/4885HPGD 1273/4885TDP1 3019/4885

“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.