SCHEMBL7799225

SCHEMBL7799225

O=C(O)C=Cc1cc2c(cc1Oc1cccc(Oc3ccc4c(c3)OCO4)c1C(=O)O)OCO2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.46
HTT P42858 1/20 0.44
GAA P10253 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
AR P10275 1/20 0.42
CYP1A2 P05177 1/20 0.41
HSD17B10 Q99714 1/20 0.41
KDM4E B2RXH2 3/20 0.41
MAPT P10636 3/20 0.41
ALDH1A1 P00352 3/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
MAOB P27338 2/20 0.39
PLA2G1B P04054 1/20 0.38
ATG4B Q9Y4P1 1/20 0.38
KMT2A Q03164 1/20 0.38
ATM Q13315 1/20 0.38
MAPK1 P28482 2/20 0.37
CASP3 P42574 1/20 0.36
SENP8 Q96LD8 1/20 0.36

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
SCHEMBL7799223 1.00 LMNA (0.46) LMNAHTTGAASMN1; SMN2AR
SCHEMBL7797642 0.89 MAOB (0.39) LMNAHTTSMN1; SMN2KDM4EMAPT
SCHEMBL795101 0.85 MAOB (0.50) LMNAGAASMN1; SMN2MAPTALDH1A1
SCHEMBL8541779 0.81 KDM4E (0.47) LMNAGAASMN1; SMN2KDM4EMAPT
SCHEMBL8541775 0.81 KDM4E (0.47) LMNAGAASMN1; SMN2KDM4EMAPT
SCHEMBL7801002 0.80 MAOB (0.43) LMNAGAASMN1; SMN2MAPTALDH1A1
SCHEMBL7791683 0.79 RAB9A (0.47) SMN1; SMN2KDM4EMAPTALDH1A1NPC1
SCHEMBL8547479 0.78 NPC1 (0.47) LMNASMN1; SMN2KDM4EMAPTALDH1A1
SCHEMBL7799665 0.78 NPC1 (0.47) LMNASMN1; SMN2KDM4EMAPTALDH1A1
SCHEMBL7800904 0.78 NPC1 (0.50) SMN1; SMN2KDM4EMAPTALDH1A1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5977117-A Substituted phenyl compounds and derivatives thereof that modulate the activity of endothelin TEXAS BIOTECHNOLOGY CORPORATION (US) 1999-11-02 US claimed
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 1173/4885HTT 1387/4885GAA 4539/4885

“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.