SCHEMBL5205577

SCHEMBL5205577

O=C(O)Cc1ccc(OCc2ccc(-c3ccccc3)cc2)cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 6/20 0.72
ABCC4 O15439 1/20 0.70
LMNA P02545 1/20 0.70
GAA P10253 1/20 0.70
TSHR P16473 1/20 0.70
PTGS1 P23219 1/20 0.70
HTT P42858 1/20 0.70
GSTP1 P09211 1/20 0.62
FFAR4 Q5NUL3 3/20 0.59
PPARD Q03181 2/20 0.59
ALOX5 P09917 2/20 0.59
PPARG P37231 1/20 0.59
NR1H4 Q96RI1 1/20 0.58
MMP12 P39900 1/20 0.58
AKR1B1 P15121 1/20 0.57
PTGER4 P35408 1/20 0.56
NR4A1 P22736 1/20 0.56
NR4A2 P43354 1/20 0.56
NR4A3 Q92570 1/20 0.56
RXRA P19793 1/20 0.55

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
SCHEMBL1756380 1.00 FFAR1 (0.72) FFAR1ABCC4LMNAGAATSHR
SCHEMBL1066614 0.91 FFAR1 (0.70) FFAR1LMNAPTGS1FFAR4ALOX5
Ammonia Solution, Strong SCHEMBL27788257 0.90 FFAR1 (0.68) FFAR1LMNAPTGS1FFAR4ALOX5
SCHEMBL4222632 0.90 FFAR1 (0.68) FFAR1LMNAPTGS1FFAR4ALOX5
Hydrochloric Acid SCHEMBL10622121 0.90 FFAR1 (0.68) FFAR1LMNAPTGS1FFAR4ALOX5
SCHEMBL6182 0.90 FFAR1 (0.69) FFAR1ABCC4LMNAGAATSHR
SCHEMBL1756354 0.87 MAOB (0.60) FFAR1ABCC4LMNAGAATSHR
SCHEMBL6341082 0.87 FFAR1 (0.68) FFAR1LMNAPTGS1FFAR4PPARD
SCHEMBL4530835 0.87 PPARD (0.77) FFAR1GSTP1FFAR4PPARDPPARG
Bicarbonate SCHEMBL9638235 0.86 FFAR1 (0.71) FFAR1LMNAPTGS1GSTP1FFAR4

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
EP-1572628-B1 ISOPHTALIC ACID DERIVATIVES BAYER HEALTHCARE AG (DE) 2007-07-25 EP disclosed
US-20050228020-A1 Beta secretase inhibitors MIYAMOTO MASAOMI 2005-10-13 US disclosed
EP-1572628-A1 ISOPHTALIC ACID DERIVATIVES Bayer HealthCare AG (DE) 2005-09-14 EP disclosed
WO-2004052839-A1 ISOPHTALIC ACID DERIVATIVES BAYER HEALTHCARE AG (DE) 2004-06-24 WO disclosed
US-20040110743-A1 -Secretase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-06-10 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-1283039-A1 -SECRETASE INHIBITORS Takeda Chemical Industries, Ltd. (JP) 2003-02-12 EP 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 (2 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-20050228020-A1 Beta secretase inhibitors BACE1, BACE2, APP FFAR1 1517/4885ABCC4 1866/4885LMNA 2863/4885
US-20040110743-A1 -Secretase inhibitors BACE1, BACE2, PSEN1 FFAR1 1621/4885ABCC4 3317/4885LMNA 1709/4885

“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.