SCHEMBL7791683

SCHEMBL7791683

O=C(O)c1c(Oc2ccc(F)cc2)cccc1Oc1ccc2c(c1)OCO2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.47
MAPK1 P28482 3/20 0.47
KMT2A Q03164 3/20 0.47
HPGD P15428 1/20 0.47
ALOX15 P16050 1/20 0.47
ALDH1A1 P00352 3/20 0.47
MAOB P27338 2/20 0.45
MAOA P21397 1/20 0.45
CASP3 P42574 2/20 0.44
SENP8 Q96LD8 2/20 0.44
SENP7 Q9BQF6 2/20 0.44
SENP6 Q9GZR1 2/20 0.44
MCL1 Q07820 1/20 0.43
NPC1 O15118 3/20 0.42
CTNNB1 P35222 1/20 0.42
WNT3A P56704 1/20 0.42
TP53 P04637 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MEN1 O00255 1/20 0.42
PKM P14618 1/20 0.42

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
SCHEMBL795101 0.93 MAOB (0.50) RAB9AMAPK1KMT2AHPGDALOX15
SCHEMBL7791720 0.90 RAB9A (0.51) RAB9AMAPK1KMT2AHPGDALOX15
SCHEMBL7799665 0.89 NPC1 (0.47) RAB9AMAPK1KMT2AALDH1A1MAOB
SCHEMBL7800904 0.89 NPC1 (0.50) RAB9AMAPK1KMT2AHPGDALDH1A1
SCHEMBL8547479 0.89 NPC1 (0.47) RAB9AMAPK1KMT2AALDH1A1MAOB
SCHEMBL7797679 0.85 RAB9A (0.49) RAB9AMAPK1HPGDALDH1A1MAOB
SCHEMBL7802114 0.85 KMT2A (0.55) RAB9AKMT2AHPGDALDH1A1MAOB
SCHEMBL7791690 0.85 ALDH1A1 (0.50) RAB9AMAPK1KMT2AALDH1A1MAOB
SCHEMBL7801002 0.85 MAOB (0.43) RAB9AMAPK1KMT2AHPGDALOX15
SCHEMBL8544701 0.84 KMT2A (0.57) RAB9AKMT2AALDH1A1NPC1TP53

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 8 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
EP-0876364-A2 SUBSTITUTED PHENYL COMPOUNDS AND DERIVATIVES THEREOF THAT MODULATE THE ACTIVITY OF ENDOTHELIN TEXAS BIOTECHNOLOGY CORPORATION (US) 1998-11-11 EP claimed
WO-1997025321-A2 SUBSTITUTED PHENYL COMPOUNDS AND DERIVATIVES THEREOF THAT MODULATE THE ACTIVITY OF ENDOTHELIN TEXAS BIOTECHNOLOGY CORPORATION (US) 1997-07-17 WO 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
EP-0876364-A2 SUBSTITUTED PHENYL COMPOUNDS AND DERIVATIVES THEREOF THAT MODULATE THE ACTIVITY OF ENDOTHELIN TEXAS BIOTECHNOLOGY CORPORATION (US) 1998-11-11 EP disclosed
WO-1997025321-A2 SUBSTITUTED PHENYL COMPOUNDS AND DERIVATIVES THEREOF THAT MODULATE THE ACTIVITY OF ENDOTHELIN TEXAS BIOTECHNOLOGY CORPORATION (US) 1997-07-17 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-20010014694-A1 Substituted phenyl compounds and derivatives thereof that modulate the activity of endothelin EDNRA, EDNRB, NPR1 RAB9A 3305/4885MAPK1 979/4885KMT2A 3982/4885

“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.