SCHEMBL3207752

SCHEMBL3207752

O=C(O)CCNc1ccccc1O

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.66
HPGD P15428 2/20 0.66
HSD17B10 Q99714 2/20 0.66
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
POLB P06746 2/20 0.56
NSD2 O96028 1/20 0.56
BLM P54132 1/20 0.56
RXFP1 Q9HBX9 1/20 0.56
KDM4E B2RXH2 2/20 0.54
MAPT P10636 2/20 0.54
AKR1C3 P42330 1/20 0.54
AKR1C2 P52895 1/20 0.54
AKR1C1 Q04828 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
CA12 O43570 2/20 0.46
CA2 P00918 2/20 0.46
CA9 Q16790 2/20 0.46
CA1 P00915 1/20 0.46
ITGB3 P05106 1/20 0.46

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
SCHEMBL7940066 0.86 ALDH1A1 (0.50) ALDH1A1HPGDHSD17B10MEN1KMT2A
SCHEMBL11141013 0.83 KDM1A (0.46) ALDH1A1HPGDHSD17B10MEN1KMT2A
Acetic Acid SCHEMBL29786178 0.82 KDM4E (0.49) ALDH1A1HPGDHSD17B10MEN1KMT2A
SCHEMBL13736441 0.81 MAPT (0.57) ALDH1A1HPGDHSD17B10MEN1KMT2A
SCHEMBL453632 0.80 KMT2A (0.48) ALDH1A1HPGDHSD17B10MEN1KMT2A
Hydrochloric Acid SCHEMBL28161064 0.80 KMT2A (0.48) ALDH1A1HPGDHSD17B10MEN1KMT2A
SCHEMBL30536400 0.80 KMT2A (0.48) ALDH1A1HPGDHSD17B10MEN1KMT2A
SCHEMBL1736885 0.79 ALDH1A1 (0.64) ALDH1A1HPGDHSD17B10MEN1KMT2A
SCHEMBL3119009 0.79 ALDH1A1 (0.64) ALDH1A1HPGDHSD17B10MEN1KMT2A
SCHEMBL6090937 0.79 ALDH1A1 (0.64) ALDH1A1HPGDHSD17B10MEN1KMT2A

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 ALDH1A1 1501/4885HPGD 1474/4885HSD17B10 1123/4885
US-20120232111-A1 Parakeratosis inhibitor, pore -shrinking agent and external compositon for skin CUTA, AAAS, NUP160 ALDH1A1 3543/4885HPGD 2394/4885HSD17B10 2725/4885
US-20120165409-A1 WRINKLE-IMPROVING AGENT AAAS, GLA, COL14A1 ALDH1A1 1151/4885HPGD 1299/4885HSD17B10 1334/4885

“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.