SCHEMBL3973672

SCHEMBL3973672

[c]1ccc(OCc2ccc(-c3ccccc3)cc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSTP1 P09211 2/20 0.58
FFAR1 O14842 1/20 0.55
APP P05067 1/20 0.52
IDO1 P14902 2/20 0.50
AGXT P21549 2/20 0.50
MAOB P27338 3/20 0.49
BCHE P06276 1/20 0.49
LMNA P02545 1/20 0.48
CYP1A2 P05177 1/20 0.48
PTGS1 P23219 1/20 0.48
SLC6A2 P23975 1/20 0.48
CYP2C19 P33261 1/20 0.48
PTGS2 P35354 1/20 0.48
SLC6A3 Q01959 1/20 0.48
HIF1A Q16665 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
GAA P10253 1/20 0.47
MAPT P10636 1/20 0.47
MAOA P21397 1/20 0.47
RAB9A P51151 1/20 0.47

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
SCHEMBL1282632 0.89 LMNA (0.62) FFAR1APPMAOBBCHELMNA
SCHEMBL76993 0.88 LMNA (0.61) GSTP1APPMAOBBCHELMNA
SCHEMBL12285274 0.86 GSTP1 (0.68) GSTP1FFAR1APPIDO1AGXT
SCHEMBL23665904 0.86 GSTP1 (0.68) GSTP1FFAR1APPIDO1AGXT
SCHEMBL920703 0.84 APP (0.59) FFAR1APPMAOBBCHELMNA
SCHEMBL1703352 0.84 APP (0.69) GSTP1FFAR1APPIDO1AGXT
SCHEMBL1283846 0.84 FFAR1 (0.58) FFAR1APPMAOBBCHELMNA
SCHEMBL27281499 0.82 APP (0.57) FFAR1APPMAOBBCHELMNA
SCHEMBL23483029 0.82 LMNA (0.69) GSTP1FFAR1MAOBBCHELMNA
SCHEMBL1096817 0.82 LMNA (0.69) GSTP1FFAR1MAOBBCHELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7501538-B2 Aryl and heteroaryl compounds, compositions and methods of use TRANSTECH PHARMA, INC. (US) 2009-03-10 US claimed
US-20050049310-A1 Aryl and heteroaryl compounds, compositions and methods of use VTVX HOLDINGS I LLC 2005-03-03 US claimed
WO-2005014532-A1 ARYL AND HETEROARYL COMPOUNDS, COMPOSITIONS AND METHODS OF USE TRANSTECH PHARMA, INC. (US) 2005-02-17 WO claimed
US-7501538-B2 Aryl and heteroaryl compounds, compositions and methods of use TRANSTECH PHARMA, INC. (US) 2009-03-10 US disclosed
US-20050049310-A1 Aryl and heteroaryl compounds, compositions and methods of use VTVX HOLDINGS I LLC 2005-03-03 US disclosed
WO-2005014532-A1 ARYL AND HETEROARYL COMPOUNDS, COMPOSITIONS AND METHODS OF USE TRANSTECH PHARMA, INC. (US) 2005-02-17 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-20050049310-A1 Aryl and heteroaryl compounds, compositions and methods of use EPOR, HBG2, CYP2F1 GSTP1 1281/4885FFAR1 517/4885APP 3397/4885

“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.