SCHEMBL3199140

SCHEMBL3199140

CCC(=O)N(CCC(=O)O)c1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.64
SMN1; SMN2 Q16637 2/20 0.55
OPRM1 P35372 5/20 0.54
SIGMAR1 Q99720 3/20 0.54
ALDH1A1 P00352 2/20 0.52
GLA P06280 1/20 0.52
TSHR P16473 1/20 0.52
NPC1 O15118 1/20 0.50
JAK2 O60674 1/20 0.50
RAB9A P51151 1/20 0.50
PAX8 Q06710 1/20 0.50
ACHE P22303 1/20 0.49
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
LTB4R2 Q9NPC1 1/20 0.47
HTT P42858 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
SCHEMBL8767338 0.87 NPC1 (0.60) TP53SMN1; SMN2OPRM1SIGMAR1ALDH1A1
SCHEMBL2069920 0.85 TP53 (0.68) TP53SMN1; SMN2OPRM1SIGMAR1ALDH1A1
SCHEMBL4172015 0.84 TP53 (0.61) TP53SMN1; SMN2OPRM1SIGMAR1ALDH1A1
SCHEMBL14398964 0.83 TP53 (0.60) TP53SMN1; SMN2OPRM1SIGMAR1ALDH1A1
SCHEMBL11021186 0.82 TP53 (0.64) TP53SMN1; SMN2ALDH1A1TSHRNPC1
SCHEMBL3199341 0.82 OPRM1 (0.54) OPRM1ALDH1A1
SCHEMBL17333463 0.82 TP53 (0.59) TP53SMN1; SMN2OPRM1SIGMAR1ALDH1A1
SCHEMBL19049114 0.82 NPC1 (0.67) TP53SMN1; SMN2OPRM1SIGMAR1ALDH1A1
SCHEMBL17333385 0.82 TP53 (0.59) TP53SMN1; SMN2OPRM1SIGMAR1ALDH1A1
SCHEMBL6470937 0.81 ALDH1A1 (0.55) TP53SMN1; SMN2OPRM1SIGMAR1ALDH1A1

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 TP53 4346/4885SMN1; SMN2 24/4885OPRM1 3972/4885
US-20120232111-A1 Parakeratosis inhibitor, pore -shrinking agent and external compositon for skin CUTA, AAAS, NUP160 TP53 494/4885SMN1; SMN2 3451/4885OPRM1 4752/4885
US-20120165409-A1 WRINKLE-IMPROVING AGENT AAAS, GLA, COL14A1 TP53 4030/4885SMN1; SMN2 29/4885OPRM1 3949/4885

“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.