SCHEMBL3188384

SCHEMBL3188384

CCCCOc1ccc(C(C)[C]=O)cc1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
SLC2A1 P11166 2/20 0.47
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
TSHR P16473 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46
LTA4H P09960 2/20 0.46
LMNA P02545 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
SCHEMBL909955 0.93 ACACB (0.51) CA12CA1CA2CA7CA9
SCHEMBL910341 0.85 NQO1 (0.54) CA12CA1CA2TSHRCA7
SCHEMBL3199092 0.82 ALOX5 (0.48) SMN1; SMN2TSHRLTA4HLMNA
SCHEMBL953996 0.82 SLC2A1 (0.47) MAPK1SMN1; SMN2SLC2A1LTA4H
SCHEMBL5018762 0.79 MEN1 (0.59) MAPK1SMN1; SMN2SLC2A1LTA4H
SCHEMBL10816131 0.78 SLC2A1 (0.55) SLC2A1CA12CA1CA2TSHR
SCHEMBL8030986 0.78 NR5A1 (0.53) SLC2A1TSHRLTA4HLMNA
SCHEMBL7273438 0.77 SLC2A1 (0.57) SLC2A1TSHRLTA4HLMNA
SCHEMBL9778337 0.77 LTA4H (0.55) SMN1; SMN2CA12CA1CA2TSHR
SCHEMBL2494575 0.77 SLC2A1 (0.56) MAPK1SMN1; SMN2SLC2A1LTA4H

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 MAPK1 2330/4885SMN1; SMN2 24/4885SLC2A1 2909/4885
US-20120232111-A1 Parakeratosis inhibitor, pore -shrinking agent and external compositon for skin CUTA, AAAS, NUP160 MAPK1 2393/4885SMN1; SMN2 3451/4885SLC2A1 2979/4885
US-20120165409-A1 WRINKLE-IMPROVING AGENT AAAS, GLA, COL14A1 MAPK1 2010/4885SMN1; SMN2 29/4885SLC2A1 2530/4885

“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.