SCHEMBL909956

SCHEMBL909956

CCCOc1ccc(CC[C]=O)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.58
L3MBTL1 Q9Y468 2/20 0.58
ACACB O00763 2/20 0.51
SLC5A1 P13866 1/20 0.48
SLC5A2 P31639 1/20 0.48
ALDH1A1 P00352 2/20 0.46
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46
NPC1 O15118 1/20 0.44
MAPT P10636 1/20 0.44
NFKB1 P19838 1/20 0.44
RAB9A P51151 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
LTA4H P09960 1/20 0.44
CHRNB4 P30926 1/20 0.44

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
SCHEMBL3188387 0.93 LMNA (0.50) LMNAL3MBTL1ALDH1A1CA12CA1
SCHEMBL11315046 0.90 LMNA (0.50) LMNAL3MBTL1ALDH1A1SMN1; SMN2LTA4H
SCHEMBL11307452 0.88 NR5A1 (0.53) LMNAALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL11311492 0.88 NR5A1 (0.53) LMNAALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL9265038 0.88 NR5A1 (0.53) LMNAALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL7276095 0.88 NR5A1 (0.53) LMNAALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL11319335 0.88 NR5A1 (0.53) LMNAALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL910342 0.85 NQO1 (0.54) L3MBTL1ACACBSLC5A1SLC5A2ALDH1A1
SCHEMBL7351862 0.83 LMNA (0.50) LMNAL3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL910937 0.81 LMNA (0.53) LMNAL3MBTL1ACACBALDH1A1CA12

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 8 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-20110004019-A1 Parakeratosis Inhibitor, Pore-Shrinking Agent, Or Rough Skin Inhibiting/Ameliorating Agent, And External Composition For Skin Containing The Same SHISEIDO COMPANY LTD. (JP) 2011-01-06 US disclosed
EP-2255780-A1 PARAKERATOSIS INHIBITOR, PORE SHRINKING AGENT OR AGENT FOR PREVENTING OR IMPROVING ROUGH SKIN, AND COMPOSITION FOR EXTERNAL USE ON THE SKIN CONTAINING THE SAME Shiseido Company, Ltd. (JP) 2010-12-01 EP 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 (4 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 133/4885L3MBTL1 874/4885ACACB 190/4885
US-20120232111-A1 Parakeratosis inhibitor, pore -shrinking agent and external compositon for skin CUTA, AAAS, NUP160 LMNA 277/4885L3MBTL1 1100/4885ACACB 825/4885
US-20110004019-A1 Parakeratosis Inhibitor, Pore-Shrinking Agent, Or Rough Skin Inhibiting/Ameliorating Agent, And External Composition For Skin Containing The Same CUTA, GLRA3, ARGLU1 LMNA 2447/4885L3MBTL1 3695/4885ACACB 2366/4885
US-20120165409-A1 WRINKLE-IMPROVING AGENT AAAS, GLA, COL14A1 LMNA 105/4885L3MBTL1 999/4885ACACB 219/4885

“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.