SCHEMBL6539739

SCHEMBL6539739

CC(C)CCCOc1ccc(C(=O)O)cc1

nearest known ligand 0.84

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.84
RARB P10826 5/20 0.82
TSHR P16473 2/20 0.63
TP53 P04637 1/20 0.63
PLA2G4B P0C869 7/20 0.61
PKM P14618 1/20 0.61
HTT P42858 1/20 0.58
ALDH1A1 P00352 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
USP2 O75604 1/20 0.55
ALOX15 P16050 1/20 0.55
HSD17B10 Q99714 1/20 0.55
PLA2G4A P47712 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
SCHEMBL10535685 0.93 RARB (0.88) MAPK1RARBTSHRTP53PLA2G4B
SCHEMBL10535460 0.93 RARB (0.88) MAPK1RARBTSHRTP53PLA2G4B
SCHEMBL10537317 0.93 RARB (0.88) MAPK1RARBTSHRTP53PLA2G4B
SCHEMBL10334195 0.93 RARB (0.88) MAPK1RARBTSHRTP53PLA2G4B
SCHEMBL9813425 0.93 RARB (0.88) MAPK1RARBTSHRTP53PLA2G4B
SCHEMBL6538723 0.91 MAPK1 (1.00) MAPK1RARBTSHRTP53PLA2G4B
SCHEMBL4181436 0.91 RARB (1.00) MAPK1RARBTSHRTP53PLA2G4B
SCHEMBL28520501 0.89 MAPK1 (0.77) MAPK1RARBTSHRTP53PLA2G4B
SCHEMBL15449670 0.89 MAPK1 (0.77) MAPK1RARBTSHRTP53PLA2G4B
SCHEMBL10785289 0.89 MAPK1 (0.77) MAPK1RARBTSHRTP53PLA2G4B

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
US-6812235-B2 2-ACYLAMINO- BETA -ALANINE DERIVATIVES AND A PHARMACEUTICALLY ACCEPTABLE SALT, USEFUL AS FIBRINOGEN RECEPTOR ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-11-02 US disclosed
US-20030018193-A1 Beta-alanine derivatives and their use as receptor anatgonists ASTELLAS PHARMA INC. (JP) 2003-01-23 US disclosed
EP-1255748-A1 BETA-ALANINE DERIVATIVES AND THEIR USE AS RECEPTOR ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-11-13 EP disclosed
WO-2001060813-A1 BETA-ALANINE DERIVATIVES AND THEIR USE AS RECEPTOR ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-08-23 WO disclosed
US-6008401-A CONDENSATION REACTION BETWEEN 4-HALO OR NITRO SUBSTITUTED BENZONITRILE DERIVATIVE AND OTICALLY ACTIVE ALCOHOL PRODUCES AN OPTICALLY ACTIVE ALKOXYBENZONITRILE DERIVATIVE NIPPON OIL CO., LTD. (JP) 1999-12-28 US 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-20030018193-A1 Beta-alanine derivatives and their use as receptor anatgonists ARRB1, ADRB1, GLRB MAPK1 1483/4885RARB 322/4885TSHR 689/4885

“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.