SCHEMBL3260407

SCHEMBL3260407

O=C(O)CCN1CCCC(O)C1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.47
SMN1; SMN2 Q16637 2/20 0.44
CYP1A2 P05177 1/20 0.44
MAPK1 P28482 1/20 0.44
KDM4E B2RXH2 2/20 0.43
GLA P06280 1/20 0.43
PDCD1 Q15116 1/20 0.41
CD274 Q9NZQ7 1/20 0.41
HTR1A P08908 1/20 0.40
POLB P06746 2/20 0.38
MAPT P10636 2/20 0.38
HRH2 P25021 1/20 0.38
HRH1 P35367 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
HPGD P15428 2/20 0.38
TSHR P16473 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
LMNA P02545 1/20 0.38
TAAR1 Q96RJ0 1/20 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
SCHEMBL21349043 0.86 CYP1A2 (0.51) ALDH1A1SMN1; SMN2CYP1A2MAPK1PDCD1
SCHEMBL1007857 0.84 L3MBTL1 (0.58) ALDH1A1SMN1; SMN2KDM4EPDCD1CD274
SCHEMBL12635274 0.84 HTR1A (0.43) ALDH1A1SMN1; SMN2MAPK1KDM4EPDCD1
SCHEMBL1008402 0.84 L3MBTL1 (0.58) ALDH1A1SMN1; SMN2KDM4EPDCD1CD274
SCHEMBL1006793 0.84 L3MBTL1 (0.58) ALDH1A1SMN1; SMN2KDM4EPDCD1CD274
SCHEMBL12635277 0.84 HTR1A (0.43) ALDH1A1SMN1; SMN2MAPK1KDM4EPDCD1
SCHEMBL31124629 0.81 SMN1; SMN2 (0.44) ALDH1A1SMN1; SMN2CYP1A2MAPK1GLA
SCHEMBL29108930 0.81 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2KDM4EHTR1APOLB
SCHEMBL18503227 0.80 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2KDM4EPOLBMAPT
SCHEMBL6360035 0.80 SLC6A1 (0.52) ALDH1A1CYP1A2TSHRLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102319184-B Parakeratosis inhibitor, pore-shrinking agent and external composition for skin SHISEIDO CO LTD 2015-03-25 CN disclosed
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
CN-102319184-A Parakeratosis inhibitor, pore contracting agent and composition for external application SHISEIDO CO LTD 2012-01-18 CN disclosed
CN-101175470-B Parakeratosis inhibitor, pore-shrinking agent and external composition for skin SHISEIDO CO LTD 2011-09-14 CN disclosed
CN-101267803-B Wrinkle-improving agent SHISEIDO CO LTD 2011-06-08 CN disclosed
US-20100035881-A1 WRINKLE-IMPROVING AGENT SHISEIDO COMPANY, LTD. (JP) 2010-02-11 US disclosed
CN-101267803-A Wrinkle-improving agent SHISEIDO CO LTD (JP) 2008-09-17 CN disclosed
EP-1941861-A1 WRINKLE-IMPROVING AGENT Shiseido Company, Limited (JP) 2008-07-09 EP disclosed
CN-101175470-A Parakeratosis inhibitor, pore-shrinking agent and external composition for skin SHISEIDO CO LTD (JP) 2008-05-07 CN 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 ALDH1A1 1501/4885SMN1; SMN2 24/4885CYP1A2 3833/4885
US-20120232111-A1 Parakeratosis inhibitor, pore -shrinking agent and external compositon for skin CUTA, AAAS, NUP160 ALDH1A1 3543/4885SMN1; SMN2 3451/4885CYP1A2 3980/4885
US-20120165409-A1 WRINKLE-IMPROVING AGENT AAAS, GLA, COL14A1 ALDH1A1 1151/4885SMN1; SMN2 29/4885CYP1A2 3658/4885

“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.