SCHEMBL2171297

SCHEMBL2171297

COC(=O)C(=Cc1ccc(F)cc1)CC(=O)O

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
CYP1A2 P05177 2/20 0.50
LMNA P02545 1/20 0.50
MAPT P10636 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
RECQL P46063 1/20 0.50
ALDH1A1 P00352 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
POLB P06746 1/20 0.41
NOS3 P29474 3/20 0.40
NOS1 P29475 3/20 0.40
NOS2 P35228 3/20 0.40
TRPA1 O75762 1/20 0.40

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
SCHEMBL2171291 1.00 MEN1 (0.50) MEN1KMT2ACYP1A2LMNAMAPT
SCHEMBL7132118 0.85 RECQL (0.51) MEN1KMT2ALMNAMAPTRECQL
SCHEMBL1915837 0.85 RECQL (0.69) MEN1KMT2AMAPTCYP2C9RECQL
SCHEMBL1915838 0.85 RECQL (0.69) MEN1KMT2AMAPTCYP2C9RECQL
SCHEMBL1915834 0.85 RECQL (0.69) MEN1KMT2AMAPTCYP2C9RECQL
SCHEMBL7617840 0.84 GSK3B (0.50) KMT2ACYP1A2LMNAMAPTRECQL
SCHEMBL7934147 0.84 GSK3B (0.50) KMT2ACYP1A2LMNAMAPTRECQL
SCHEMBL27725356 0.84 RECQL (0.58) MEN1KMT2ALMNARECQLPOLB
SCHEMBL23294031 0.83 RECQL (0.51) MEN1KMT2ACYP1A2LMNAMAPT
SCHEMBL15006666 0.83 RECQL (0.51) MEN1KMT2ACYP1A2LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8642629-B2 Naphthylacetic acids HOFFMANN-LA ROCHE INC. (US) 2014-02-04 US disclosed
EP-2358677-B1 NAPHTHYLACETIC ACIDS USED AS CRTH2 ANTAGONISTS OR PARTIAL AGONISTS HOFFMANN LA ROCHE (CH) 2014-01-08 EP disclosed
EP-2346819-B1 NAPHTHYLACETIC ACIDS HOFFMANN LA ROCHE (CH) 2013-04-10 EP disclosed
US-8188090-B2 Naphthylacetic acids HOFFMAN-LA ROCHE INC. (US) 2012-05-29 US disclosed
CN-102216265-A Naphthylacetic acid HOFFMANN LA ROCHE 2011-10-12 CN disclosed
CN-102216273-A Naphthylacetic acids used as crth2 antagonists or partial agonists HOFFMANN LA ROCHE (CH) 2011-10-12 CN disclosed
EP-2358677-A1 NAPHTHYLACETIC ACIDS USED AS CRTH2 ANTAGONISTS OR PARTIAL AGONISTS F. Hoffmann-La Roche AG (CH) 2011-08-24 EP disclosed
EP-2346819-A1 NAPHTHYLACETIC ACIDS F. Hoffmann-La Roche AG (CH) 2011-07-27 EP disclosed
US-20100125061-A1 NAPHTHYLACETIC ACIDS FIROOZNIA FARIBORZ 2010-05-20 US disclosed
WO-2010055006-A1 NAPHTHYLACETIC ACIDS USED AS CRTH2 ANTAGONISTS OR PARTIAL AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2010-05-20 WO disclosed
WO-2010055004-A1 NAPHTHYLACETIC ACIDS F. HOFFMANN-LA ROCHE AG (CH) 2010-05-20 WO disclosed
US-20100125058-A1 NAPHTHYLACETIC ACIDS CHEN LI 2010-05-20 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 (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-20100125058-A1 NAPHTHYLACETIC ACIDS HRH2, HRH1, HRH3 MEN1 3750/4885KMT2A 2762/4885CYP1A2 284/4885
US-20100125061-A1 NAPHTHYLACETIC ACIDS HRH2, HRH1, HRH3 MEN1 3561/4885KMT2A 2023/4885CYP1A2 221/4885

“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.