SCHEMBL4517358

SCHEMBL4517358

CC(=O)Oc1ccc(OCc2ccc(-c3ccccc3)cc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 3/20 0.64
ALDH1A1 P00352 2/20 0.60
HTT P42858 2/20 0.60
SMN1; SMN2 Q16637 2/20 0.60
L3MBTL1 Q9Y468 1/20 0.60
GSTP1 P09211 1/20 0.59
MAOB P27338 1/20 0.58
ALOX5 P09917 2/20 0.55
PTGS1 P23219 1/20 0.55
PTGS2 P35354 1/20 0.55
HSD17B10 Q99714 1/20 0.54
GAA P10253 2/20 0.54
LMNA P02545 1/20 0.54
MAPT P10636 2/20 0.54
PTGER4 P35408 2/20 0.54
TDP1 Q9NUW8 1/20 0.54
RAB9A P51151 1/20 0.54
NR4A1 P22736 1/20 0.53
NR4A2 P43354 1/20 0.53
NR4A3 Q92570 1/20 0.53

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
SCHEMBL1068959 0.90 MAOB (0.70) FFAR1ALDH1A1HTTSMN1; SMN2L3MBTL1
SCHEMBL9154171 0.85 HSD17B10 (0.71) ALDH1A1SMN1; SMN2HSD17B10GAALMNA
SCHEMBL29399270 0.85 HSD17B10 (0.71) ALDH1A1SMN1; SMN2HSD17B10GAALMNA
SCHEMBL1713590 0.85 HSD17B10 (0.71) ALDH1A1SMN1; SMN2HSD17B10GAALMNA
SCHEMBL6054433 0.84 MAOB (0.82) FFAR1ALDH1A1HTTSMN1; SMN2L3MBTL1
SCHEMBL7539817 0.84 SRD5A2 (0.73) FFAR1ALDH1A1HTTSMN1; SMN2L3MBTL1
Bicarbonate SCHEMBL9638235 0.83 FFAR1 (0.71) FFAR1GSTP1MAOBPTGS1PTGS2
SCHEMBL13845231 0.82 MAOB (0.71) FFAR1ALDH1A1HTTSMN1; SMN2L3MBTL1
SCHEMBL28516316 0.82 MAOB (0.68) ALDH1A1HTTSMN1; SMN2L3MBTL1MAOB
SCHEMBL9735930 0.82 MAOB (0.68) ALDH1A1HTTSMN1; SMN2L3MBTL1MAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7498460-B2 Isophthalic acid derivatives BAYER HEALTHCARE AG (DE) 2009-03-03 US disclosed
US-7498460-B2 Isophthalic acid derivatives BAYER HEALTHCARE AG (DE) 2009-03-03 US disclosed
US-7498460-B2 Isophthalic acid derivatives BAYER HEALTHCARE AG (DE) 2009-03-03 US disclosed
EP-1572628-B1 ISOPHTALIC ACID DERIVATIVES BAYER HEALTHCARE AG (DE) 2007-07-25 EP disclosed
US-20060154912-A1 Isophtalic acid derivatives BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2006-07-13 US disclosed
US-6586475-B1 5-chloro-N-(2-N,N-diethylamino)ethyl)-2- methoxy-4-(1-naphthoylamino)benzamide and prodrugs, used for prevention of neurodegenarative diseases such as Alzheimer's disease TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2003-07-01 US disclosed
EP-1132376-A1 BETA-AMYLOID PROTEIN PRODUCTION/SECRETION INHIBITORS Takeda Chemical Industries, Ltd. (JP) 2001-09-12 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-20060154912-A1 Isophtalic acid derivatives VHL, FABP3, CPT1A FFAR1 832/4885ALDH1A1 60/4885HTT 18/4885

“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.