SCHEMBL3207994

SCHEMBL3207994

CCC(=O)N(CCC(=O)O)c1ccccc1OC

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.48
ALDH1A1 P00352 4/20 0.47
HSD17B10 Q99714 3/20 0.47
KDM4E B2RXH2 2/20 0.43
POLB P06746 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
KMT2A Q03164 1/20 0.42
PABPC1 P11940 1/20 0.42
CYP2C19 P33261 1/20 0.42
TSPO P30536 1/20 0.40
TSHR P16473 2/20 0.40
GAA P10253 1/20 0.40
ESR1 P03372 1/20 0.40

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
SCHEMBL11250 0.83 ALDH1A1 (0.51) ALDH1A1HSD17B10KDM4EPOLBL3MBTL1
SCHEMBL11267655 0.83 ALDH1A1 (0.47) ALDH1A1HSD17B10KDM4EPOLBSMN1; SMN2
SCHEMBL11266461 0.81 ALDH1A1 (0.45) ALDH1A1HSD17B10KDM4ESMN1; SMN2L3MBTL1
SCHEMBL11258983 0.81 ALDH1A1 (0.45) ALDH1A1HSD17B10KDM4ESMN1; SMN2L3MBTL1
SCHEMBL19974763 0.78 LMNA (0.49) LMNAPOLBSMN1; SMN2L3MBTL1CYP2C19
SCHEMBL30063258 0.78 LMNA (0.49) LMNAPOLBSMN1; SMN2L3MBTL1CYP2C19
SCHEMBL14229107 0.77 CYP1A2 (0.54) ALDH1A1HSD17B10KDM4EPOLBSMN1; SMN2
SCHEMBL3199140 0.77 TP53 (0.64) ALDH1A1SMN1; SMN2KMT2ACYP2C19TSHR
SCHEMBL11472981 0.76 LPAR1 (0.44) LMNAALDH1A1KDM4EPOLBSMN1; SMN2
SCHEMBL10941845 0.75 ESR1 (0.49) LMNAALDH1A1KDM4EPOLBSMN1; SMN2

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 LMNA 133/4885ALDH1A1 1501/4885HSD17B10 1123/4885
US-20120232111-A1 Parakeratosis inhibitor, pore -shrinking agent and external compositon for skin CUTA, AAAS, NUP160 LMNA 277/4885ALDH1A1 3543/4885HSD17B10 2725/4885
US-20120165409-A1 WRINKLE-IMPROVING AGENT AAAS, GLA, COL14A1 LMNA 105/4885ALDH1A1 1151/4885HSD17B10 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.