SCHEMBL1672199

SCHEMBL1672199

CC(=O)c1c(C)cc2cc(C)cc(O)c2c1O

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SELL P14151 1/20 0.39
SELP P16109 1/20 0.39
SELE P16581 1/20 0.39
CYP3A4 P08684 5/20 0.38
MEN1 O00255 1/20 0.38
HPGD P15428 1/20 0.38
KMT2A Q03164 1/20 0.38
IDO1 P14902 1/20 0.38
GLO1 Q04760 1/20 0.36
ACHE P22303 2/20 0.34
THRB P10828 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
KDM4E B2RXH2 1/20 0.33
GAA P10253 1/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
HTT P42858 1/20 0.33
MAPT P10636 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL12800168 0.86 CYP3A4 (0.52) CYP3A4MEN1HPGDKMT2AIDO1
SCHEMBL12800166 0.82 MAPT (0.44) SELLSELPCYP3A4MEN1HPGD
SCHEMBL20020531 0.81 IDO1 (0.35) CYP3A4MEN1HPGDKMT2AIDO1
Torachrysone SCHEMBL29380720 0.81 CYP3A4 (0.51) CYP3A4HPGDKMT2AIDO1ACHE
Torachrysone SCHEMBL932035 0.81 CYP3A4 (0.51) CYP3A4HPGDKMT2AIDO1ACHE
Nepodin SCHEMBL1673268 0.78 MEN1 (0.53) CYP3A4MEN1HPGDKMT2AIDO1
Nepodin SCHEMBL30189621 0.78 MEN1 (0.53) CYP3A4MEN1HPGDKMT2AIDO1
SCHEMBL2648126 0.75 CYP3A4 (0.54) SELLSELPSELECYP3A4MEN1
SCHEMBL30597490 0.75 CYP3A4 (0.54) SELLSELPSELECYP3A4MEN1
SCHEMBL1682172 0.72 CYP3A4 (0.68) SELLSELPSELECYP3A4MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2488152-B1 COMPOSITION COMPRISING AT LEAST ONE 1,8-DIHYDROXYNAPHTHALENE DERIVATIVE AND AT LEAST ONE BASIFYING AGENT DIFFERENT FROM AQUEOUS AMMONIA, PROCESS FOR DYEING KERATIN FIBRES USING THE COMPOSITION OREAL (FR) 2018-04-04 EP claimed
US-8551189-B2 Composition comprising at least one 1,8-dihydroxynaphthalene derivative and at least one basifying agent different from aqueous ammonia, process for dyeing keratin fibres using the composition L'OREAL (FR) 2013-10-08 US claimed
EP-2488152-A2 COMPOSITION COMPRISING AT LEAST ONE 1,8-DIHYDROXYNAPHTHALENE DERIVATIVE AND AT LEAST ONE BASIFYING AGENT DIFFERENT FROM AQUEOUS AMMONIA, PROCESS FOR DYEING KERATIN FIBRES USING THE COMPOSITION L'Oréal (FR) 2012-08-22 EP claimed
WO-2011045403-A2 COMPOSITION COMPRISING AT LEAST ONE 1,8-DIHYDROXYNAPHTHALENE DERIVATIVE AND AT LEAST ONE BASIFYING AGENT DIFFERENT FROM AQUEOUS AMMONIA, PROCESS FOR DYEING KERATIN FIBRES USING THE COMPOSITION L'OREAL (FR) 2011-04-21 WO claimed
EP-2488152-B1 COMPOSITION COMPRISING AT LEAST ONE 1,8-DIHYDROXYNAPHTHALENE DERIVATIVE AND AT LEAST ONE BASIFYING AGENT DIFFERENT FROM AQUEOUS AMMONIA, PROCESS FOR DYEING KERATIN FIBRES USING THE COMPOSITION OREAL (FR) 2018-04-04 EP disclosed
EP-2488152-B1 COMPOSITION COMPRISING AT LEAST ONE 1,8-DIHYDROXYNAPHTHALENE DERIVATIVE AND AT LEAST ONE BASIFYING AGENT DIFFERENT FROM AQUEOUS AMMONIA, PROCESS FOR DYEING KERATIN FIBRES USING THE COMPOSITION OREAL (FR) 2018-04-04 EP disclosed
WO-2014118099-A1 FUNGICIDAL NAPHTHOQUINONES AND DERIVATIVES BASF SE (DE) 2014-08-07 WO disclosed
US-8551189-B2 Composition comprising at least one 1,8-dihydroxynaphthalene derivative and at least one basifying agent different from aqueous ammonia, process for dyeing keratin fibres using the composition L'OREAL (FR) 2013-10-08 US disclosed
US-8551189-B2 Composition comprising at least one 1,8-dihydroxynaphthalene derivative and at least one basifying agent different from aqueous ammonia, process for dyeing keratin fibres using the composition L'OREAL (FR) 2013-10-08 US disclosed
US-8551189-B2 Composition comprising at least one 1,8-dihydroxynaphthalene derivative and at least one basifying agent different from aqueous ammonia, process for dyeing keratin fibres using the composition L'OREAL (FR) 2013-10-08 US disclosed
US-20130219633-A1 COMPOSITION COMPRISING AT LEAST ONE 1,8-DIHYDROXYNAPHTHALENE DERIVATIVE AND AT LEAST ONE BASIFYING AGENT DIFFERENT FROM AQUEOUS AMMONIA, PROCESS FOR DYEING KERATIN FIBRES USING THE COMPOSITION L'OREAL (FR) 2013-08-29 US disclosed
US-20130219633-A1 COMPOSITION COMPRISING AT LEAST ONE 1,8-DIHYDROXYNAPHTHALENE DERIVATIVE AND AT LEAST ONE BASIFYING AGENT DIFFERENT FROM AQUEOUS AMMONIA, PROCESS FOR DYEING KERATIN FIBRES USING THE COMPOSITION L'OREAL (FR) 2013-08-29 US disclosed
WO-2012136782-A1 METHOD OF DYEING OR MAKING UP KERATIN FIBRES USING A PIGMENT RESULTING FROM A 1,8-DIHYDROXYNAPHTHALENE DERIVATIVE, COMPOSITION CONTAINING THE PIGMENT AND THE PIGMENT L'OREAL (FR) 2012-10-11 WO disclosed
WO-2011045403-A2 COMPOSITION COMPRISING AT LEAST ONE 1,8-DIHYDROXYNAPHTHALENE DERIVATIVE AND AT LEAST ONE BASIFYING AGENT DIFFERENT FROM AQUEOUS AMMONIA, PROCESS FOR DYEING KERATIN FIBRES USING THE COMPOSITION L'OREAL (FR) 2011-04-21 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-20130219633-A1 COMPOSITION COMPRISING AT LEAST ONE 1,8-DIHYDROXYNAPHTHALENE DERIVATIVE AND AT LEAST ONE BASIFYING AGENT DIFFERENT FROM AQUEOUS AMMONIA, PROCESS FOR DYEING KERATIN FIBRES USING THE COMPOSITION KRT18, DSG1, TUBA8 SELL 4336/4885SELP 3967/4885SELE 4554/4885

“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.