SCHEMBL12733372

SCHEMBL12733372

CCCC(C)C(=O)c1ccc(O)cc1O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AB1 P08238 1/20 0.54
HTT P42858 1/20 0.51
CA12 O43570 4/20 0.50
CA1 P00915 4/20 0.50
CA2 P00918 4/20 0.50
CA7 P43166 4/20 0.50
CA9 Q16790 4/20 0.50
CA14 Q9ULX7 4/20 0.50
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
CYP3A4 P08684 1/20 0.49
MAPT P10636 1/20 0.49
PPARG P37231 1/20 0.49
KDM4E B2RXH2 1/20 0.49
CES2 O00748 1/20 0.48
ALDH1A1 P00352 3/20 0.47
TSHR P16473 1/20 0.47
GFER P55789 1/20 0.46
PDK2 Q15119 1/20 0.46
PDK4 Q16654 1/20 0.46

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
SCHEMBL9407152 0.86 HSP90AB1 (0.58) HSP90AB1HTTCA12CA1CA2
SCHEMBL9407157 0.86 HSP90AB1 (0.58) HSP90AB1HTTCA12CA1CA2
SCHEMBL3559437 0.81 CA12 (0.51) HSP90AB1HTTCA12CA1CA2
SCHEMBL22955842 0.79 LMNA (0.46) HTTCA12CA1CA2CA7
SCHEMBL29378476 0.78 CA12 (0.59) HSP90AB1HTTCA12CA1CA2
SCHEMBL1830213 0.78 CA12 (0.59) HSP90AB1HTTCA12CA1CA2
SCHEMBL20026813 0.78 TERT (0.44) CA12CA1CA2CA7CA9
SCHEMBL9405634 0.77 HTT (0.46) HTTKDM4EALDH1A1LMNAHPGD
SCHEMBL9405633 0.77 HTT (0.46) HTTKDM4EALDH1A1LMNAHPGD
SCHEMBL2989013 0.77 CA12 (0.58) HSP90AB1HTTCA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8318217-B2 Compositions comprising an anti-inflammatory blend JOHNSON & JOHNSON CONSUMER COMPANIES, INC. (US) 2012-11-27 US disclosed
US-20110081431-A1 COMPOSITIONS COMPRISING AN NFkB-INHIBITOR AND A NON-RETINOID COLLAGEN PROMOTER KENVUE BRANDS LLC 2011-04-07 US disclosed
US-20110081433-A1 COMPOSITIONS COMPRISING AN ANTI-INFLAMMATORY BLEND JOHNSON & JOHNSON CONSUMER INC. 2011-04-07 US disclosed
US-20110081430-A1 COMPOSITIONS COMPRISING AN NFkB-INHIBITOR AND A TROPOELASTIN PROMOTER JOHNSON & JOHNSON CONSUMER COMPANIES, INC. 2011-04-07 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 (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-20110081431-A1 COMPOSITIONS COMPRISING AN NFkB-INHIBITOR AND A NON-RETINOID COLLAGEN PROMOTER NFKBIA, NFRKB, NFKB1 HSP90AB1 536/4885HTT 3686/4885CA12 2948/4885
US-20110081430-A1 COMPOSITIONS COMPRISING AN NFkB-INHIBITOR AND A TROPOELASTIN PROMOTER NFKBIA, NFKB1, NFKB2 HSP90AB1 217/4885HTT 620/4885CA12 4182/4885
US-20110081433-A1 COMPOSITIONS COMPRISING AN ANTI-INFLAMMATORY BLEND NFKBIA, NFKB2, NFKB1 HSP90AB1 629/4885HTT 1636/4885CA12 4775/4885

“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.