SCHEMBL6906654

SCHEMBL6906654

CCCCC[C@H](O)OC1CCCCO1

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
USP2 O75604 1/20 0.33
HTT P42858 1/20 0.33
EPHX1 P07099 1/20 0.33
SPHK2 Q9NRA0 1/20 0.32
SPHK1 Q9NYA1 1/20 0.32

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
SCHEMBL9160306 1.00 ALDH1A1 (0.33) ALDH1A1TDP1USP2HTTEPHX1
SCHEMBL30028753 0.98 ALDH1A1 (0.36) ALDH1A1TDP1USP2HTTEPHX1
SCHEMBL8496317 0.98 ALDH1A1 (0.36) ALDH1A1TDP1USP2HTTEPHX1
SCHEMBL9349040 0.98 ALDH1A1 (0.36) ALDH1A1TDP1USP2HTTEPHX1
SCHEMBL31190500 0.98 ALDH1A1 (0.36) ALDH1A1TDP1USP2HTTEPHX1
SCHEMBL17844871 0.89 MEN1 (0.31) ALDH1A1HTT
SCHEMBL8075279 0.85 MAPT (0.34)
SCHEMBL29087903 0.84 MEN1 (0.33)
SCHEMBL29087905 0.84 MEN1 (0.33)
SCHEMBL14764913 0.83 ALDH1A1 (0.33) ALDH1A1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040077728-A1 Retiferol derivatives and their use in the treatment of skin diseases or conditions associated with photodamage F. HOFFMANN-LA ROCHE AG (CH) 2004-04-22 US disclosed
EP-1341745-A1 RETIFEROL DERIVATIVES AND THEIR USE IN THE TREATMENT OF SKIN DISEASES OR CONDITIONS ASSOCIATED WITH PHOTODAMAGE F.HOFFMANN-LA ROCHE AG (CH) 2003-09-10 EP disclosed
WO-2002042247-A1 RETIFEROL DERIVATIVES AND THEIR USE IN THE TREATMENT OF SKIN DISEASES OR CONDITIONS ASSOCIATED WITH PHOTODAMAGE F.HOFFMANN-LA ROCHE AG (CH) 2002-05-30 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-20040077728-A1 Retiferol derivatives and their use in the treatment of skin diseases or conditions associated with photodamage NR1H2, RFC2, RFC1 ALDH1A1 2318/4885TDP1 1687/4885USP2 1644/4885

“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.