SCHEMBL3199349

SCHEMBL3199349

COc1ccc(CCC(=O)NCCC(=O)O)cc1

nearest known ligand 0.82

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.78
KMT2A Q03164 4/20 0.65
MEN1 O00255 2/20 0.65
ATM Q13315 1/20 0.64
ALDH1A1 P00352 2/20 0.60
FFAR1 O14842 2/20 0.60

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
SCHEMBL7338221 0.89 POLB (0.79) POLBKMT2AMEN1ATM
SCHEMBL2007775 0.86 POLB (0.70) POLBKMT2AMEN1ATMALDH1A1
SCHEMBL275229 0.86 POLB (0.80) POLBKMT2AMEN1ATMALDH1A1
SCHEMBL3208992 0.86 NPC1 (0.64) POLBATMALDH1A1
SCHEMBL7357508 0.85 POLB (0.69) POLBKMT2AMEN1ALDH1A1
SCHEMBL10963023 0.85 POLB (0.78) POLBKMT2AMEN1ATMALDH1A1
SCHEMBL7284361 0.84 CNR1 (0.70) POLBKMT2AMEN1ALDH1A1
SCHEMBL11540738 0.84 POLB (0.56) POLBKMT2AMEN1ATMALDH1A1
SCHEMBL28742538 0.84 POLB (0.86) POLBKMT2AMEN1
SCHEMBL274471 0.84 FFAR1 (0.81) POLBALDH1A1FFAR1

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-8937090-B2 Parakeratosis inhibitor, pore-shrinking agent and external composition for skin SHISEIDO COMPANY, LTD. (JP) 2015-01-20 US disclosed
US-20120232111-A1 Parakeratosis inhibitor, pore -shrinking agent and external compositon for skin SHISEIDO COMPANY, LTD. (JP) 2012-09-13 US disclosed
US-20120165409-A1 WRINKLE-IMPROVING AGENT SHISEIDO COMPANY, LTD. (JP) 2012-06-28 US disclosed
US-20100035881-A1 WRINKLE-IMPROVING AGENT SHISEIDO COMPANY, LTD. (JP) 2010-02-11 US disclosed
EP-1941861-A1 WRINKLE-IMPROVING AGENT Shiseido Company, Limited (JP) 2008-07-09 EP disclosed
EP-1880711-A1 PARAKERATOSIS INHIBITOR, PORE-SHRINKING AGENT AND EXTERNAL COMPOSITION FOR SKIN Shiseido Company, Limited (JP) 2008-01-23 EP 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 (3 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-20100035881-A1 WRINKLE-IMPROVING AGENT AAAS, GLA, COL14A1 POLB 1408/4885KMT2A 4332/4885MEN1 3690/4885
US-20120232111-A1 Parakeratosis inhibitor, pore -shrinking agent and external compositon for skin CUTA, AAAS, NUP160 POLB 1724/4885KMT2A 4216/4885MEN1 1767/4885
US-20120165409-A1 WRINKLE-IMPROVING AGENT AAAS, GLA, COL14A1 POLB 882/4885KMT2A 4416/4885MEN1 3470/4885

“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.