SCHEMBL2849301

SCHEMBL2849301

Cc1cc(O)cc(OC(=O)CCCC(=O)O)c1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 2/20 0.44
GAA P10253 3/20 0.42
TSHR P16473 2/20 0.42
HPGD P15428 1/20 0.42
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
HCAR1 Q9BXC0 1/20 0.40
MAPK1 P28482 1/20 0.38
ALB P02768 1/20 0.37
ALDH1A1 P00352 1/20 0.36
PDE4B Q07343 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL17203211 0.89 VCAM1 (0.46) VCAM1GAATSHRKMT2AALB
SCHEMBL4081074 0.86 KMT2A (0.45) GAAHPGDKMT2AMEN1ALDH1A1
Alcohol SCHEMBL10867294 0.81 VCAM1 (0.46) VCAM1TSHRKMT2AMEN1ALB
SCHEMBL8651557 0.81 KMT2A (0.44) VCAM1TSHRKMT2AMEN1ALB
Orcinol SCHEMBL2849303 0.81 HCAR1 (0.52) GAATSHRKMT2AMEN1HCAR1
SCHEMBL28471205 0.81 VCAM1 (0.46) VCAM1GAATSHRKMT2AMEN1
SCHEMBL2875378 0.80 CA12 (0.56) VCAM1HPGDKMT2AMEN1ALDH1A1
SCHEMBL9774288 0.78 ACHE (0.45) GAAHPGDKMT2AMEN1HCAR1
SCHEMBL8654408 0.77 KMT2A (0.48) VCAM1KMT2AMEN1ALBALDH1A1
SCHEMBL11579542 0.77 L3MBTL1 (0.56) GAATSHRKMT2AMEN1ALDH1A1

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-2150119-B1 DIHYDROXYBENZOATE POLYMERS AND USES THEREOF TYRX INC (US) 2018-04-11 EP disclosed
US-9491966-B2 Dihydroxybenzoate polymers and uses thereof TYRX, INC. (US) 2016-11-15 US disclosed
US-20100129417-A1 Dihydroxybenzoate Polymers and Uses Thereof MEDTRONIC, INC. 2010-05-27 US disclosed
EP-2150119-A1 DIHYDROXYBENZOATE POLYMERS AND USES THEREOF TYRX PHARMA INC. (US) 2010-02-10 EP disclosed
WO-2008137807-A1 DIHYDROXYBENZOATE POLYMERS AND USES THEREOF TYRX PHARMA, INC. (US) 2008-11-13 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-20100129417-A1 Dihydroxybenzoate Polymers and Uses Thereof DDT, QDPR, HPD VCAM1 1243/4885GAA 891/4885TSHR 4753/4885

“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.