SCHEMBL3203835

SCHEMBL3203835

O=C(O)CCNc1ccc(O)cc1O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ APEX1 P27695 1/20 0.51
▸ KMT2A Q03164 3/20 0.49
▸ MEN1 O00255 2/20 0.49
▸ POLB P06746 2/20 0.49
▸ NSD2 O96028 1/20 0.49
▸ BLM P54132 1/20 0.49
▸ RXFP1 Q9HBX9 1/20 0.49
▸ ALDH1A1 P00352 6/20 0.49
▸ HSD17B10 Q99714 3/20 0.49
▸ HPGD P15428 3/20 0.49
▸ MAPT P10636 3/20 0.47
▸ KDM4E B2RXH2 2/20 0.47
▸ AKR1C3 P42330 1/20 0.47
▸ AKR1C2 P52895 1/20 0.47
▸ AKR1C1 Q04828 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ TDP1 Q9NUW8 2/20 0.44
▸ TSHR P16473 2/20 0.41
▸ CA12 O43570 1/20 0.41
▸ CA1 P00915 1/20 0.41

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
SCHEMBL3197207 0.82 TDP1 (0.68) APEX1KMT2AMEN1POLBNSD2
SCHEMBL1483484 0.81 ALDH1A1 (0.44) KMT2AMEN1ALDH1A1TDP1TSHR
SCHEMBL2984483 0.80 ALDH1A1 (0.42) KMT2AMEN1ALDH1A1TDP1TSHR
SCHEMBL3207752 0.78 ALDH1A1 (0.66) APEX1KMT2AMEN1POLBNSD2
SCHEMBL13957114 0.77 TDP1 (0.71) POLBALDH1A1HSD17B10HPGDKDM4E
SCHEMBL29509773 0.76 IDO1 (0.53) KMT2AMEN1ALDH1A1HPGDMAPT
SCHEMBL17513470 0.74 TDP1 (0.54) APEX1KMT2AMEN1POLBNSD2
SCHEMBL10980190 0.73 ALDH1A1 (0.55) KMT2AMEN1BLMALDH1A1HSD17B10
SCHEMBL3129089 0.73 POLB (0.61) KMT2AMEN1POLBNSD2BLM
SCHEMBL26487832 0.73 HPGD (0.64) APEX1KMT2AMEN1POLBNSD2

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 APEX1 2765/4885KMT2A 4332/4885MEN1 3690/4885
US-20120232111-A1 Parakeratosis inhibitor, pore -shrinking agent and external compositon for skin CUTA, AAAS, NUP160 APEX1 2054/4885KMT2A 4216/4885MEN1 1767/4885
US-20120165409-A1 WRINKLE-IMPROVING AGENT AAAS, GLA, COL14A1 APEX1 2912/4885KMT2A 4416/4885MEN1 3470/4885

“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.

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