SCHEMBL5606925

SCHEMBL5606925

COC(=Cc1ccc(OCC(C)Cl)cc1)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.39
MTNR1A P48039 3/20 0.38
MTNR1B P49286 3/20 0.38
LMNA P02545 2/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
ABCG2 Q9UNQ0 2/20 0.38
NPC1 O15118 1/20 0.38
MTOR P42345 1/20 0.38
TP53 P04637 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
MAPK1 P28482 1/20 0.38
CYP2C19 P33261 1/20 0.38
HSD17B10 Q99714 1/20 0.38
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
RAB9A P51151 1/20 0.37

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
SCHEMBL5606920 1.00 PTGS2 (0.39) PTGS2MTNR1AMTNR1BLMNAPOLB
SCHEMBL5607661 0.87 LMNA (0.50) MTNR1AMTNR1BLMNAPOLBMAPT
SCHEMBL5607663 0.87 LMNA (0.50) MTNR1AMTNR1BLMNAPOLBMAPT
SCHEMBL5606854 0.86 MTNR1A (0.38) MTNR1AMTNR1BLMNAPOLBMAPT
SCHEMBL5606850 0.86 MTNR1A (0.38) MTNR1AMTNR1BLMNAPOLBMAPT
SCHEMBL5607375 0.86 MTNR1A (0.38) MTNR1AMTNR1BLMNAPOLBMAPT
SCHEMBL5607379 0.86 MTNR1A (0.38) MTNR1AMTNR1BLMNAPOLBMAPT
SCHEMBL5607584 0.80 MAPT (0.41) PTGS2MAPTABCG2RAB9AKMT2A
SCHEMBL5607588 0.80 MAPT (0.41) PTGS2MAPTABCG2RAB9AKMT2A
SCHEMBL5606675 0.78 GAA (0.46) MAPTABCG2ALDH1A1RAB9AKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070142472-A1 Process for producing optically active 3-(4-hydroxyphenyl)proprionic acids TAKASAGO INTERNATIONAL CORPORATION (JP) 2007-06-21 US disclosed
EP-1687250-A1 PROCESS FOR PRODUCING OPTICALLY ACTIVE 3-(4-HYDROXYPHENYL)PROPIONIC ACIDS Takasago International Corporation (JP) 2006-08-09 EP disclosed
WO-2005051882-A1 PROCESS FOR PRODUCING OPTICALLY ACTIVE 3-(4-HYDROXYPHENYL)PROPIONIC ACIDS TAKASAGO INTERNATIONAL CORPORATION (JP) 2005-06-09 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-20070142472-A1 Process for producing optically active 3-(4-hydroxyphenyl)proprionic acids ALDH1A2, ALDH1A3, GRHPR PTGS2 2308/4885MTNR1A 1439/4885MTNR1B 1082/4885

“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.