SCHEMBL3208574

SCHEMBL3208574

COc1cccc(CC(=O)NCCC(=O)O)c1

nearest known ligand 0.65

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.60
CA2 P00918 1/20 0.60
ALDH1A1 P00352 1/20 0.57
HTT P42858 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
MTNR1A P48039 2/20 0.56
MTNR1B P49286 2/20 0.56
USP2 O75604 1/20 0.56
CTBP2 P56545 1/20 0.53
POLB P06746 1/20 0.53

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
SCHEMBL7355294 0.90 MTNR1A (0.58) CA1CA2ALDH1A1HTTSMN1; SMN2
SCHEMBL3199590 0.88 MTNR1A (0.62) ALDH1A1HTTSMN1; SMN2MTNR1AMTNR1B
SCHEMBL3209903 0.86 HPGD (0.52) CA1CA2ALDH1A1SMN1; SMN2MTNR1A
SCHEMBL11654998 0.86 CA1 (0.77) CA1CA2ALDH1A1HTTSMN1; SMN2
Hydrochloric Acid SCHEMBL11659562 0.84 CA1 (0.76) CA1CA2ALDH1A1HTTSMN1; SMN2
Methane SCHEMBL9652380 0.84 PTGS1 (0.65) CA1CA2ALDH1A1HTTSMN1; SMN2
SCHEMBL4028224 0.83 CA1 (0.70) CA1CA2ALDH1A1SMN1; SMN2MTNR1A
SCHEMBL28992026 0.83 NPC1 (0.74) ALDH1A1HTTSMN1; SMN2USP2POLB
SCHEMBL3208992 0.82 NPC1 (0.64) CA1CA2ALDH1A1HTTSMN1; SMN2
SCHEMBL30639518 0.82 KMT2A (0.65) CA1CA2ALDH1A1MTNR1AMTNR1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102319184-B Parakeratosis inhibitor, pore-shrinking agent and external composition for skin SHISEIDO CO LTD 2015-03-25 CN disclosed
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 CA1 4651/4885CA2 2941/4885ALDH1A1 1501/4885
US-20120232111-A1 Parakeratosis inhibitor, pore -shrinking agent and external compositon for skin CUTA, AAAS, NUP160 CA1 1466/4885CA2 876/4885ALDH1A1 3543/4885
US-20120165409-A1 WRINKLE-IMPROVING AGENT AAAS, GLA, COL14A1 CA1 4609/4885CA2 3261/4885ALDH1A1 1151/4885

“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.