SCHEMBL3196104

SCHEMBL3196104

COc1ccc(CCNCCC(=O)O)cc1

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.62
KMT2A Q03164 3/20 0.62
ATM Q13315 1/20 0.62
SMN1; SMN2 Q16637 2/20 0.59
FFAR1 O14842 2/20 0.59
F2RL1 P55085 1/20 0.58
ALDH1A1 P00352 1/20 0.58
PLAAT3 P53816 1/20 0.56
PLAAT5 Q96KN8 1/20 0.56
PLAAT2 Q9NWW9 1/20 0.56
PLAAT4 Q9UL19 1/20 0.56
S1PR1 P21453 1/20 0.56
S1PR3 Q99500 1/20 0.56
KDM4E B2RXH2 1/20 0.56
GAA P10253 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
POLB P06746 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
SCHEMBL524586 0.89 KMT2A (0.64) MEN1KMT2AATMSMN1; SMN2FFAR1
Hydrochloric Acid SCHEMBL9499909 0.88 S1PR1 (0.64) MEN1KMT2AFFAR1F2RL1S1PR1
SCHEMBL9487686 0.88 MEN1 (0.60) MEN1KMT2AATMSMN1; SMN2FFAR1
SCHEMBL7111468 0.87 SMN1; SMN2 (0.59) MEN1KMT2AATMSMN1; SMN2F2RL1
SCHEMBL3214390 0.85 MEN1 (0.64) MEN1KMT2AATMFFAR1F2RL1
SCHEMBL15890767 0.84 S1PR1 (0.81) MEN1KMT2AFFAR1S1PR1S1PR3
SCHEMBL3190312 0.84 S1PR1 (0.60) MEN1KMT2ASMN1; SMN2FFAR1ALDH1A1
Diethanolamine SCHEMBL632948 0.84 FFAR1 (0.64) MEN1KMT2AATMSMN1; SMN2FFAR1
SCHEMBL28661867 0.84 SMN1; SMN2 (0.65) MEN1KMT2AATMSMN1; SMN2ALDH1A1
Hydrochloric Acid SCHEMBL948389 0.83 S1PR1 (0.79) MEN1KMT2AFFAR1S1PR1S1PR3

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 MEN1 3690/4885KMT2A 4332/4885ATM 416/4885
US-20120232111-A1 Parakeratosis inhibitor, pore -shrinking agent and external compositon for skin CUTA, AAAS, NUP160 MEN1 1767/4885KMT2A 4216/4885ATM 104/4885
US-20120165409-A1 WRINKLE-IMPROVING AGENT AAAS, GLA, COL14A1 MEN1 3470/4885KMT2A 4416/4885ATM 353/4885

“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.