SCHEMBL4619210

SCHEMBL4619210

C[C@@H](NCC1CCCCC1)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.47
CYP2D6 P10635 1/20 0.44
EPHX1 P07099 4/20 0.44
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
MMP1 P03956 1/20 0.42
MMP2 P08253 1/20 0.42
MMP3 P08254 1/20 0.42
MMP9 P14780 1/20 0.42
MMP8 P22894 1/20 0.42
CA9 Q16790 1/20 0.42
EPHX2 P34913 1/20 0.41
OPRK1 P41145 1/20 0.40
ADH1B P00325 1/20 0.39
ADH1C P00326 1/20 0.39
ADH1A P07327 1/20 0.39
ADH4 P08319 1/20 0.39
ADH7 P40394 1/20 0.39
KMT2A Q03164 2/20 0.38

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
SCHEMBL4620196 1.00 LTA4H (0.47) LTA4HCYP2D6EPHX1CA12CA1
SCHEMBL4620202 1.00 LTA4H (0.47) LTA4HCYP2D6EPHX1CA12CA1
SCHEMBL22413014 0.98 LTA4H (0.44) LTA4HCYP2D6EPHX1CA12CA1
SCHEMBL22413011 0.98 LTA4H (0.44) LTA4HCYP2D6EPHX1CA12CA1
SCHEMBL5592373 0.94 LTA4H (0.41) LTA4HCYP2D6EPHX1CA12CA1
SCHEMBL5592372 0.94 LTA4H (0.41) LTA4HCYP2D6EPHX1CA12CA1
SCHEMBL1377279 0.90 SIGMAR1 (0.42) LTA4HKMT2A
SCHEMBL1377280 0.90 SIGMAR1 (0.42) LTA4HKMT2A
SCHEMBL4620611 0.81 BCHE (0.46) LTA4HEPHX1KMT2AMEN1NPC1
SCHEMBL20422606 0.81 EPHX1 (0.42) LTA4HCYP2D6EPHX1CA12CA1

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 3 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
EP-1884230-A1 PARAKERATOSIS INHIBITOR, PORE-SHRINKING AGENT OR AGENT FOR PREVENTING/AMELIORATING ROUGH SKIN AND EXTERNAL COMPOSITION FOR SKIN Shiseido Company, Limited (JP) 2008-02-06 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 (1 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-20120232111-A1 Parakeratosis inhibitor, pore -shrinking agent and external compositon for skin CUTA, AAAS, NUP160 LTA4H 862/4885CYP2D6 4722/4885EPHX1 3301/4885

“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.