SCHEMBL3203062

SCHEMBL3203062

CCCCOc1cccc(C(=O)NCCC(=O)O)c1

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.62
MAPT P10636 1/20 0.62
NR1H4 Q96RI1 2/20 0.61
SMPD1 P17405 3/20 0.61
USP2 O75604 1/20 0.61
MAPK1 P28482 1/20 0.61
KMT2A Q03164 3/20 0.60
THRB P10828 1/20 0.60
KAT6A Q92794 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.57
MEN1 O00255 1/20 0.55
NPC1 O15118 1/20 0.55
RAB9A P51151 1/20 0.55
AKR1C2 P52895 1/20 0.55
AKR1C1 Q04828 1/20 0.55
PLA2G4B P0C869 1/20 0.54
HPGD P15428 1/20 0.54
F10 P00742 1/20 0.54

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
SCHEMBL7742636 0.94 GAA (0.65) GAAMAPTNR1H4SMPD1USP2
SCHEMBL3207992 0.94 KMT2A (0.64) GAAMAPTNR1H4SMPD1MAPK1
SCHEMBL3190321 0.88 HPGD (0.68) MAPTNR1H4MAPK1KMT2AKAT6A
SCHEMBL24176159 0.85 SMPD1 (0.68) GAAMAPTNR1H4SMPD1USP2
SCHEMBL3197299 0.85 NPC1 (0.69) MAPTKMT2ASMN1; SMN2MEN1NPC1
SCHEMBL9489684 0.84 SMPD1 (0.76) GAAMAPTNR1H4SMPD1USP2
SCHEMBL7742803 0.84 SMPD1 (0.64) GAAMAPTNR1H4SMPD1USP2
SCHEMBL9951991 0.82 ALDH1A1 (0.62) GAAMAPTKMT2ASMN1; SMN2MEN1
SCHEMBL3187594 0.82 ALDH1A1 (0.62) GAAMAPTKMT2ASMN1; SMN2MEN1
SCHEMBL9402606 0.82 SMPD1 (0.72) NR1H4SMPD1USP2MAPK1KMT2A

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 GAA 43/4885MAPT 2499/4885NR1H4 3864/4885
US-20120232111-A1 Parakeratosis inhibitor, pore -shrinking agent and external compositon for skin CUTA, AAAS, NUP160 GAA 486/4885MAPT 2324/4885NR1H4 2728/4885
US-20120165409-A1 WRINKLE-IMPROVING AGENT AAAS, GLA, COL14A1 GAA 40/4885MAPT 2212/4885NR1H4 4144/4885

“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.