SCHEMBL6026701

SCHEMBL6026701

COc1ccc(-c2ccc(C3(CCl)OC(=O)C(O)=C3O)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 9/20 0.43
EDNRB P24530 6/20 0.43
ME2 P23368 1/20 0.41
ME1 P48163 1/20 0.41
ME3 Q16798 1/20 0.41
HDAC4 P56524 2/20 0.40
HDAC2 Q92769 2/20 0.40
HDAC8 Q9BY41 2/20 0.40
ESR2 Q92731 1/20 0.39
KDM4E B2RXH2 1/20 0.37
HPGD P15428 1/20 0.37
NPC1 O15118 1/20 0.36
TP53 P04637 1/20 0.36
MAPK1 P28482 1/20 0.36
CASP3 P42574 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
SENP8 Q96LD8 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SENP6 Q9GZR1 1/20 0.36

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
SCHEMBL6026074 0.78 KDM4E (0.46) EDNRAEDNRBME2ME1ME3
SCHEMBL6026415 0.76 KDM4E (0.47) EDNRAEDNRBME2ME1ME3
SCHEMBL7968987 0.71 TP53 (0.41) EDNRAEDNRBME2ME1ME3
SCHEMBL7593441 0.63 ALDH1A1 (0.38) EDNRAKDM4EHPGDSMN1; SMN2
SCHEMBL7984718 0.62 CHRNA1 (0.42) KDM4EHPGDNPC1RAB9ASMN1; SMN2
SCHEMBL6026628 0.61 MEN1 (0.37) EDNRANPC1TP53RAB9A
Methyl Alcohol SCHEMBL28098026 0.61 ESR2 (0.75) ME2ME1ME3ESR2NPC1
SCHEMBL9151672 0.61 CA1 (0.79) ESR2KDM4ENPC1TP53MAPK1
SCHEMBL6733562 0.61 CA1 (0.79) ESR2KDM4ENPC1TP53MAPK1
SCHEMBL197522 0.61 CA1 (0.79) ESR2KDM4ENPC1TP53MAPK1

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-7019029-B2 Skin whiteners containing hydroxytetronic acid derivatives THE NORTHWESTERN MUTUAL LIFE INSURANCE COMPANY, AS ADMINISTRATIVE AGENT 2006-03-28 US disclosed
US-20020141956-A1 Skin whiteners containing hydroxytetronic acid derivatives THE NORTHWESTERN MUTUAL LIFE INSURANCE COMPANY, AS ADMINISTRATIVE AGENT 2002-10-03 US disclosed
US-6265436-B1 ANTIINFLAMMATORY AGENTS OXIS THERAPEUTICS INC. 2001-07-24 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 (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-20020141956-A1 Skin whiteners containing hydroxytetronic acid derivatives TYR, PPP6C, CYP26A1 EDNRA 1867/4885EDNRB 2873/4885ME2 2175/4885

“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.