SCHEMBL3203786

SCHEMBL3203786

CCOc1ccc(CC(=O)NCCC(=O)O)cc1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.58
LMNA P02545 2/20 0.58
KMT2A Q03164 3/20 0.57
NPC1 O15118 1/20 0.56
HPGD P15428 1/20 0.56
RAB9A P51151 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
MAPT P10636 1/20 0.54
ALPI P09923 1/20 0.54
PKM P14618 1/20 0.54
CNR2 P34972 1/20 0.53
ACACB O00763 1/20 0.52
ATM Q13315 1/20 0.51
TP53 P04637 1/20 0.50
NLRP3 Q96P20 1/20 0.50
HTT P42858 1/20 0.49
MEN1 O00255 1/20 0.49

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
SCHEMBL3208992 0.85 NPC1 (0.64) ALDH1A1NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL3209903 0.83 HPGD (0.52) ALDH1A1KMT2ANPC1HPGDRAB9A
SCHEMBL8277246 0.80 ATM (0.58) ALDH1A1LMNAHPGDMAPTATM
SCHEMBL503308 0.79 PLA2G4B (0.58) ALDH1A1NPC1HPGDRAB9ASMN1; SMN2
SCHEMBL3203319 0.79 NPC1 (0.74) ALDH1A1LMNAKMT2ANPC1HPGD
SCHEMBL3206438 0.79 KMT2A (0.60) LMNAKMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL8290681 0.78 SMN1; SMN2 (0.76) ALDH1A1LMNAKMT2ANPC1HPGD
SCHEMBL8352827 0.78 SMN1; SMN2 (0.60) ALDH1A1LMNAKMT2ANPC1HPGD
SCHEMBL3199912 0.78 ATM (0.60) ALDH1A1LMNANPC1HPGDRAB9A
SCHEMBL3190312 0.78 S1PR1 (0.60) ALDH1A1LMNAKMT2ANPC1RAB9A

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 1501/4885LMNA 133/4885KMT2A 4332/4885
US-20120232111-A1 Parakeratosis inhibitor, pore -shrinking agent and external compositon for skin CUTA, AAAS, NUP160 ALDH1A1 3543/4885LMNA 277/4885KMT2A 4216/4885
US-20120165409-A1 WRINKLE-IMPROVING AGENT AAAS, GLA, COL14A1 ALDH1A1 1151/4885LMNA 105/4885KMT2A 4416/4885

“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.