SCHEMBL3208022

SCHEMBL3208022

COc1ccc(NCCC(=O)O)cc1O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.55
GAA P10253 2/20 0.53
TUBB4A P04350 1/20 0.52
TUBB P07437 1/20 0.52
TUBA3C P0DPH7 1/20 0.52
TUBA1B P68363 1/20 0.52
TUBA4A P68366 1/20 0.52
TUBB4B P68371 1/20 0.52
TUBB3 Q13509 1/20 0.52
TUBB2A Q13885 1/20 0.52
TUBB8 Q3ZCM7 1/20 0.52
TUBA3E Q6PEY2 1/20 0.52
TUBA1A Q71U36 1/20 0.52
TUBA1C Q9BQE3 1/20 0.52
TUBB6 Q9BUF5 1/20 0.52
TUBB2B Q9BVA1 1/20 0.52
TUBB1 Q9H4B7 1/20 0.52
MEN1 O00255 2/20 0.48
ALDH1A1 P00352 2/20 0.48
KMT2A Q03164 2/20 0.48

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
SCHEMBL3209008 0.88 POLB (0.55) POLBGAAMEN1ALDH1A1KMT2A
SCHEMBL3210474 0.88 POLB (0.58) POLBGAAMEN1ALDH1A1KMT2A
SCHEMBL8154116 0.85 POLB (0.55) POLBGAAMEN1ALDH1A1KMT2A
SCHEMBL7025686 0.84 TUBB4A (0.58) GAATUBB4ATUBBTUBA3CTUBA1B
SCHEMBL15934274 0.81 TUBB4A (0.57) GAATUBB4ATUBBTUBA3CTUBA1B
SCHEMBL3859668 0.81 TUBB4A (0.57) GAATUBB4ATUBBTUBA3CTUBA1B
SCHEMBL3196834 0.80 MAPT (0.55) POLBGAAMEN1ALDH1A1KMT2A
SCHEMBL3225860 0.80 POLB (0.50) POLBMEN1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL3229859 0.79 MAPT (0.56) POLBMEN1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL2676309 0.79 POLB (0.56) POLBGAAMEN1ALDH1A1KMT2A

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 POLB 1408/4885GAA 43/4885TUBB4A 2190/4885
US-20120232111-A1 Parakeratosis inhibitor, pore -shrinking agent and external compositon for skin CUTA, AAAS, NUP160 POLB 1724/4885GAA 486/4885TUBB4A 3958/4885
US-20120165409-A1 WRINKLE-IMPROVING AGENT AAAS, GLA, COL14A1 POLB 882/4885GAA 40/4885TUBB4A 1739/4885

“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.