SCHEMBL5495476

SCHEMBL5495476

CCCCCCOC(=O)c1ccc(O)cc1O

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SERPINE1 P05121 1/20 0.71
CA12 O43570 1/20 0.67
CA1 P00915 1/20 0.67
CA2 P00918 1/20 0.67
CA7 P43166 1/20 0.67
CA9 Q16790 1/20 0.67
CA14 Q9ULX7 1/20 0.67
TSHR P16473 2/20 0.62
ALDH1A1 P00352 1/20 0.62
LMNA P02545 1/20 0.62
TP53 P04637 1/20 0.59
CYP3A4 P08684 1/20 0.59
MAPK1 P28482 1/20 0.59
POLB P06746 1/20 0.59
HTT P42858 1/20 0.59
ESR1 P03372 1/20 0.57
AKR1C4 P17516 1/20 0.57
AKR1C3 P42330 1/20 0.57
AKR1C2 P52895 1/20 0.57
AKR1C1 Q04828 1/20 0.57

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
SCHEMBL27906902 1.00 SERPINE1 (0.71) SERPINE1CA12CA1CA2CA7
SCHEMBL10615730 1.00 SERPINE1 (0.71) SERPINE1CA12CA1CA2CA7
SCHEMBL9617126 0.94 SERPINE1 (0.75) SERPINE1CA12CA1CA2CA7
SCHEMBL5157430 0.89 TSHR (0.69) SERPINE1TSHRALDH1A1LMNATP53
SCHEMBL28503735 0.89 TSHR (0.69) SERPINE1TSHRALDH1A1LMNATP53
SCHEMBL31125331 0.88 CA12 (0.67) CA12CA1CA2CA7CA9
SCHEMBL31125339 0.88 CA12 (0.67) CA12CA1CA2CA7CA9
SCHEMBL31125314 0.88 CA12 (0.67) CA12CA1CA2CA7CA9
SCHEMBL13422476 0.88 CA12 (0.67) CA12CA1CA2CA7CA9
SCHEMBL495935 0.88 CA12 (0.67) CA12CA1CA2CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105848730-B Cosmetic compositions and methods providing enhanced penetration of skin care actives 宝洁公司 2019-12-13 CN disclosed
US-9149530-B2 Compositions and methods for enhancing active agent absorption NEXUS PHARMA, INC. (US) 2015-10-06 US disclosed
US-8426466-B2 Compositions and methods for enhancing active agent absorption NEXUS PHARMA, INC. (US) 2013-04-23 US disclosed
US-20070269494-A1 Compositions and methods for enhancing active agent absorption NEXUS PHARMA, INC. 2007-11-22 US disclosed
US-20070269500-A1 Compositions and methods for enhancing active agent absorption NEXUS PHARMA, INC. 2007-11-22 US 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 (2 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-20070269494-A1 Compositions and methods for enhancing active agent absorption FABP2, SLC10A2, SI SERPINE1 489/4885CA12 274/4885CA1 346/4885
US-20070269500-A1 Compositions and methods for enhancing active agent absorption FABP2, SLC10A2, SI SERPINE1 489/4885CA12 274/4885CA1 346/4885

“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.