SCHEMBL2797132

SCHEMBL2797132

O=C(O)[C@@H](CO)NC1CCCCC1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.41
▸ EPHX1 P07099 6/20 0.40
▸ SMN1; SMN2 Q16637 4/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ NPC1 O15118 2/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ EPHX2 P34913 2/20 0.40
▸ MAPT P10636 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ TGFBR1 P36897 1/20 0.38
▸ GRN P28799 1/20 0.38
▸ SORT1 Q99523 1/20 0.38
▸ HTT P42858 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ KMT2A Q03164 1/20 0.37

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
SCHEMBL2790674 1.00 LMNA (0.41) LMNAEPHX1SMN1; SMN2ALDH1A1NPC1
SCHEMBL16340697 1.00 LMNA (0.41) LMNAEPHX1SMN1; SMN2ALDH1A1NPC1
SCHEMBL2790675 1.00 LMNA (0.41) LMNAEPHX1SMN1; SMN2ALDH1A1NPC1
SCHEMBL16439872 0.98 LMNA (0.40) LMNAEPHX1SMN1; SMN2ALDH1A1NPC1
SCHEMBL16439957 0.98 LMNA (0.40) LMNAEPHX1SMN1; SMN2ALDH1A1NPC1
SCHEMBL16439982 0.98 LMNA (0.40) LMNAEPHX1SMN1; SMN2ALDH1A1NPC1
SCHEMBL16439861 0.96 LMNA (0.41) LMNAEPHX1SMN1; SMN2ALDH1A1NPC1
SCHEMBL16439953 0.92 TGFBR1 (0.38) LMNAEPHX1SMN1; SMN2ALDH1A1EPHX2
SCHEMBL16439877 0.88 TGFBR1 (0.41) LMNATGFBR1GRNSORT1
SCHEMBL9588241 0.82 SMN1; SMN2 (0.42) LMNAEPHX1SMN1; SMN2ALDH1A1NPC1

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101180029-B Parakeratosis inhibitor, pore-shrinking agent or agent for preventing and improving rough skin, and composition for external use on skin SHISEIDO CO LTD 2011-02-16 — — CN claimed
CN-101180029-A Parakeratosis inhibitor, pore-shrinking agent or agent for preventing and improving rough skin, and composition for external use on skin SHISEIDO CO LTD (JP) 2008-05-14 — — CN claimed
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 claimed
US-20110065794-A1 Wrinkle-preventing and improving composition SHISEIDO COMPANY, LTD. (JP) 2011-03-17 — — US disclosed
CN-101180029-B Parakeratosis inhibitor, pore-shrinking agent or agent for preventing and improving rough skin, and composition for external use on skin SHISEIDO CO LTD 2011-02-16 — — CN disclosed
US-20100168468-A1 WRINKLE-PREVENTING AND IMPROVING COMPOSITION KYOWA HAKKO KIRIN CO., LTD. (JP) 2010-07-01 — — US disclosed
US-20090215893-A1 Parakeratosis inhibitor, pore-shrinking agent,or rough skin preventing/ameliorating agent, and external composition for skin SHISEIDO COMPANY LTD (JP) 2009-08-27 — — US disclosed
CN-101227885-A Wrinkle preventing/improving agent SHISEIDO CO LTD (JP) 2008-07-23 — — CN disclosed
CN-101180029-A Parakeratosis inhibitor, pore-shrinking agent or agent for preventing and improving rough skin, and composition for external use on skin SHISEIDO CO LTD (JP) 2008-05-14 — — CN disclosed
EP-1908454-A1 WRINKLE-PREVENTIVE/AMELIORATING AGENT SHISEIDO COMPANY, LTD. (JP) 2008-04-09 — — EP 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 (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-20090215893-A1 Parakeratosis inhibitor, pore-shrinking agent,or rough skin preventing/ameliorating agent, and external composition for skin CUTA, STOM, MTOR LMNA 1253/4885EPHX1 3957/4885SMN1; SMN2 4316/4885
US-20100168468-A1 WRINKLE-PREVENTING AND IMPROVING COMPOSITION COL1A1, COL2A1, COL14A1 LMNA 263/4885EPHX1 3865/4885SMN1; SMN2 269/4885
US-20110065794-A1 Wrinkle-preventing and improving composition COL1A1, COL2A1, COL14A1 LMNA 263/4885EPHX1 3865/4885SMN1; SMN2 269/4885

“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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