SCHEMBL9896547

SCHEMBL9896547

CC(C)CC(O)C1CCCCC1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.54
KDM4E B2RXH2 2/20 0.52
GMNN O75496 1/20 0.52
LMNA P02545 1/20 0.52
MAPT P10636 1/20 0.52
BLM P54132 1/20 0.52
PMP22 Q01453 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
SHBG P04278 1/20 0.41
EPHX1 P07099 3/20 0.37
MMP1 P03956 2/20 0.36
MMP9 P14780 2/20 0.36
MMP14 P50281 2/20 0.36
MMP2 P08253 1/20 0.36
MMP3 P08254 1/20 0.36
PSMB5 P28074 1/20 0.35
HTT P42858 1/20 0.34

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
SCHEMBL12879212 1.00 TP53 (0.54) TP53KDM4EGMNNLMNAMAPT
SCHEMBL11890361 0.98 TP53 (0.50) TP53KDM4EGMNNLMNAMAPT
SCHEMBL11890360 0.98 TP53 (0.50) TP53KDM4EGMNNLMNAMAPT
SCHEMBL12257627 0.87
SCHEMBL11890362 0.87
SCHEMBL11890359 0.87
SCHEMBL2732081 0.86 TP53 (0.54) TP53KDM4EGMNNLMNAMAPT
SCHEMBL9640927 0.80 TP53 (0.48) TP53KDM4EGMNNLMNAMAPT
SCHEMBL28957247 0.78 TP53 (0.44) TP53KDM4EGMNNLMNAMAPT
SCHEMBL21496299 0.77 CPN1 (0.37) TP53

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
CN-117480147-A Alicyclic alcohol, alicyclic alcohol composition, and perfume composition 三菱瓦斯化学株式会社 2024-01-30 CN disclosed
EP-2648675-A1 HAIR RELAXING AND STRAIGHTENING COMPOSITIONS International Flora Technologies, Ltd. (US) 2013-10-16 EP disclosed
US-20120148517-A1 Hair Relaxing and Straightening Compositions INTERNATIONAL FLORA TECHNOLOGIES, LTD. (US) 2012-06-14 US disclosed
WO-2012078658-A1 HAIR RELAXING AND STRAIGHTENING COMPOSITIONS INTERNATIONAL FLORA TECHNOLOGIES, LTD. (US) 2012-06-14 WO 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 (1 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-20120148517-A1 Hair Relaxing and Straightening Compositions PDE6G, SHH, DNMT3L TP53 4708/4885KDM4E 666/4885GMNN 2207/4885

“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.