SCHEMBL3208902

SCHEMBL3208902

CCCOc1cccc(CNCCC(=O)O)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.54
LMNA P02545 2/20 0.54
MAPK1 P28482 1/20 0.53
KMT2A Q03164 3/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
ALDH1A1 P00352 2/20 0.52
MEN1 O00255 2/20 0.52
DRD2 P14416 1/20 0.51
DRD4 P21917 1/20 0.51
ADRA1D P25100 1/20 0.51
ADRA1A P35348 1/20 0.51
ADRA1B P35368 1/20 0.51
DRD3 P35462 1/20 0.51
CYP2D6 P10635 3/20 0.51
ROCK2 O75116 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2C9 P11712 1/20 0.51
ROCK1 Q13464 1/20 0.51
MEP1B Q16820 1/20 0.50
POLB P06746 1/20 0.50

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
SCHEMBL3195449 0.94 CYP2D6 (0.56) KDM4EMAPK1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL3197436 0.89 SMN1; SMN2 (0.64) KDM4EMAPK1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL3209970 0.88 CYP2D6 (0.59) LMNAKMT2ACYP2D6POLBLTA4H
Trifluoroacetic Acid SCHEMBL947421 0.87 KDM4E (0.51) KDM4EMAPK1KMT2AALDH1A1MEN1
SCHEMBL15890875 0.87 FFAR1 (0.62) KDM4EMAPK1DRD2DRD4ADRA1D
Trifluoroacetic Acid SCHEMBL948327 0.86 KDM4E (0.51) KDM4EMAPK1KMT2AALDH1A1MEN1
Trifluoroacetic Acid SCHEMBL947515 0.85 CYP2D6 (0.52) KDM4EMAPK1KMT2AALDH1A1MEN1
Trifluoroacetic Acid SCHEMBL948049 0.85 CYP2D6 (0.52) KDM4EMAPK1KMT2AALDH1A1MEN1
Trifluoroacetic Acid SCHEMBL947428 0.85 CYP2D6 (0.52) KDM4EMAPK1KMT2AALDH1A1MEN1
Trifluoroacetic Acid SCHEMBL949073 0.85 CYP2D6 (0.52) KDM4EMAPK1KMT2AALDH1A1MEN1

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 KDM4E 4157/4885LMNA 133/4885MAPK1 2330/4885
US-20120232111-A1 Parakeratosis inhibitor, pore -shrinking agent and external compositon for skin CUTA, AAAS, NUP160 KDM4E 3885/4885LMNA 277/4885MAPK1 2393/4885
US-20120165409-A1 WRINKLE-IMPROVING AGENT AAAS, GLA, COL14A1 KDM4E 4258/4885LMNA 105/4885MAPK1 2010/4885

“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.