SCHEMBL5763025

SCHEMBL5763025

Cc1cc(C)c(Cc2ccc(C(=O)O)o2)c(O)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.51
TDP1 Q9NUW8 3/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
HSP90AA1 P07900 1/20 0.46
ALDH1A1 P00352 6/20 0.45
POLB P06746 5/20 0.45
APEX1 P27695 2/20 0.45
CTDSP1 Q9GZU7 2/20 0.45
RECQL P46063 2/20 0.45
ESR2 Q92731 2/20 0.45
ESR1 P03372 1/20 0.45
NR4A1 P22736 1/20 0.45
DUSP3 P51452 1/20 0.45
PTPN5 P54829 1/20 0.45
PTPN11 Q06124 1/20 0.45
KMT2A Q03164 2/20 0.44
HTT P42858 2/20 0.43
PKM P14618 1/20 0.43
MEN1 O00255 1/20 0.41

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
SCHEMBL5764587 0.84 NPC1 (0.52) SMN1; SMN2TDP1NPC1RAB9AHSP90AA1
SCHEMBL2652982 0.78 HTT (0.46) SMN1; SMN2TDP1NPC1RAB9AHSP90AA1
SCHEMBL7015698 0.77 NPC1 (0.56) SMN1; SMN2TDP1NPC1RAB9AHSP90AA1
SCHEMBL2651977 0.77 HTT (0.71) SMN1; SMN2NPC1RAB9AHSP90AA1ALDH1A1
SCHEMBL18263634 0.74 HTT (0.54) NPC1RAB9AHSP90AA1ALDH1A1POLB
SCHEMBL901472 0.74 TDP1 (0.72) SMN1; SMN2TDP1NPC1RAB9AALDH1A1
SCHEMBL69436 0.72 SELL (0.48) TDP1NPC1RAB9AALDH1A1POLB
SCHEMBL31154580 0.72 BCL2 (0.47) ALDH1A1POLBKMT2AMEN1HPGD
SCHEMBL6299900 0.72 THRA (0.49) NPC1RAB9AESR2ESR1ALOX15
SCHEMBL5765557 0.71 HTT (0.61) SMN1; SMN2NPC1RAB9AHSP90AA1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1334972-B1 Non-peptide compounds affecting the action of gonadotropin-releasing hormone (GnRH) PFIZER (US) 2006-04-19 EP disclosed
US-6833372-B2 A hormone inhibitors of gonadotropin releasing hormone, an antigonadotropins, new drug compound contains a furanyl 2-carboxylic acid -(2,4-dimethoxy-pyrimidin-5-yl)-amide groups PFIZER, INC. 2004-12-21 US disclosed
US-20040053951-A1 Non-peptide GnRH agents, pharmaceutical compositions, and methods for their use PFIZER INC. 2004-03-18 US disclosed
WO-2003068769-A1 NON-PEPTIDE COMPOUNDS AFFECTING THE ACTION OF GONADOTROPIN-RELEASING HORMONE (GNRH) PFIZER INC. (US) 2003-08-21 WO disclosed
EP-1334972-A1 Non-peptide compounds affecting the action of gonadotropin-releasing hormone (GnRH) PFIZER INC. (US) 2003-08-13 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-20040053951-A1 Non-peptide GnRH agents, pharmaceutical compositions, and methods for their use GNRHR, LHCGR, FSHR SMN1; SMN2 4360/4885TDP1 2752/4885NPC1 2773/4885

“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.