SCHEMBL3214552

SCHEMBL3214552

O=C(O)CCNCCc1ccccc1O

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MPO P05164 11/20 0.61
AKR1B1 P15121 1/20 0.53
SLC6A4 P31645 1/20 0.49
SLC6A5 Q9Y345 1/20 0.48
CA12 O43570 3/20 0.47
CA2 P00918 3/20 0.47
TSHR P16473 2/20 0.46
CYP2D6 P10635 1/20 0.46
HIF1A Q16665 1/20 0.46
CA9 Q16790 2/20 0.44
KDM4E B2RXH2 1/20 0.44
HSD17B10 Q99714 1/20 0.44
S1PR1 P21453 1/20 0.44
S1PR3 Q99500 1/20 0.44
TAAR1 Q96RJ0 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
SCHEMBL2595163 0.88 MPO (0.62) MPOAKR1B1SLC6A4SLC6A5CA12
SCHEMBL10526958 0.85 MPO (0.80) MPOSLC6A4CA12CA2TSHR
SCHEMBL3200193 0.84 CA12 (0.69) MPOAKR1B1SLC6A4CA12CA2
SCHEMBL3211199 0.83 S1PR5 (0.46) MPOHSD17B10S1PR1S1PR3
SCHEMBL3203330 0.81 S1PR1 (0.43) S1PR1S1PR3
SCHEMBL3207836 0.81 ITGB3 (0.49) TSHRS1PR1S1PR3TAAR1
SCHEMBL7128255 0.81 AKR1B1 (0.65) MPOAKR1B1TAAR1
SCHEMBL35529 0.81 AKR1B1 (0.65) MPOAKR1B1TAAR1
SCHEMBL29373796 0.81 AKR1B1 (0.65) MPOAKR1B1TAAR1
SCHEMBL3206953 0.80 TYR (0.53)

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 MPO 1703/4885AKR1B1 1775/4885SLC6A4 3121/4885
US-20120232111-A1 Parakeratosis inhibitor, pore -shrinking agent and external compositon for skin CUTA, AAAS, NUP160 MPO 1667/4885AKR1B1 807/4885SLC6A4 3024/4885
US-20120165409-A1 WRINKLE-IMPROVING AGENT AAAS, GLA, COL14A1 MPO 1778/4885AKR1B1 1741/4885SLC6A4 3385/4885

“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.