SCHEMBL5764587

SCHEMBL5764587

Cc1cc(O)cc(C)c1Cc1ccc(C(=O)O)o1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.52
RAB9A P51151 3/20 0.52
HSP90AA1 P07900 1/20 0.52
SMN1; SMN2 Q16637 2/20 0.51
TDP1 Q9NUW8 4/20 0.50
POLB P06746 5/20 0.48
ALDH1A1 P00352 4/20 0.48
L3MBTL1 Q9Y468 3/20 0.48
RECQL P46063 2/20 0.48
ESR2 Q92731 2/20 0.48
MAPT P10636 2/20 0.48
HSD17B10 Q99714 2/20 0.48
KDM4E B2RXH2 1/20 0.48
ALOX15 P16050 1/20 0.48
ALOX12 P18054 1/20 0.48
HTT P42858 2/20 0.46
PKM P14618 1/20 0.46
KMT2A Q03164 3/20 0.46
MAPK1 P28482 1/20 0.46
APEX1 P27695 2/20 0.44

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
SCHEMBL7015698 0.84 NPC1 (0.56) NPC1RAB9AHSP90AA1SMN1; SMN2TDP1
SCHEMBL5763025 0.84 SMN1; SMN2 (0.51) NPC1RAB9AHSP90AA1SMN1; SMN2TDP1
SCHEMBL901472 0.77 TDP1 (0.72) NPC1RAB9ASMN1; SMN2TDP1POLB
SCHEMBL2652982 0.75 HTT (0.46) NPC1RAB9AHSP90AA1SMN1; SMN2TDP1
SCHEMBL2651977 0.74 HTT (0.71) NPC1RAB9AHSP90AA1SMN1; SMN2POLB
SCHEMBL27645320 0.72 KLKB1 (0.67) ESR2ESR1THRATHRB
SCHEMBL5764760 0.72 HTT (0.67) NPC1RAB9AHSP90AA1SMN1; SMN2POLB
SCHEMBL18263634 0.72 HTT (0.54) NPC1RAB9AHSP90AA1POLBALDH1A1
SCHEMBL3532005 0.71 TDP1 (0.62) NPC1RAB9ASMN1; SMN2TDP1POLB
SCHEMBL266172 0.70 TDP1 (0.67) NPC1RAB9AHSP90AA1SMN1; SMN2TDP1

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 NPC1 2773/4885RAB9A 2552/4885HSP90AA1 873/4885

“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.