SCHEMBL9968854

SCHEMBL9968854

CC(C)OC(=O)OC(=O)CC1Cc2ccc(O)cc2OC1=O

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MIF P14174 2/20 0.37
POLB P06746 1/20 0.33
GAA P10253 1/20 0.33
AKR1B1 P15121 1/20 0.33
CA12 O43570 2/20 0.33
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
CA7 P43166 2/20 0.33
CA9 Q16790 2/20 0.33
CA14 Q9ULX7 2/20 0.33
BACE1 P56817 1/20 0.32
GABRA1 P14867 1/20 0.31
GABRB2 P47870 1/20 0.31
ESR1 P03372 1/20 0.31
ESR2 Q92731 1/20 0.31
TTR P02766 1/20 0.31
HSP90AA1 P07900 1/20 0.31

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
SCHEMBL9968951 0.81 HSD17B1 (0.45) MIFGAAAKR1B1CA12CA1
SCHEMBL9937064 0.77 OPRM1 (0.39) MIFGAAESR1ESR2TTR
SCHEMBL28582810 0.69 DRD2 (0.39) GAAESR1ESR2TTRHSP90AA1
SCHEMBL2935731 0.69 DRD2 (0.41) GAAHSP90AA1
SCHEMBL9938371 0.67 GABRA1 (0.47) MIFBACE1GABRA1GABRB2ESR1
SCHEMBL5116383 0.66 PPARG (0.48) MIFGABRA1GABRB2ESR1ESR2
SCHEMBL9734501 0.66 KDM4E (0.50) GAACA12CA1CA2CA7
SCHEMBL14038361 0.65 ESR2 (0.41) MIFGAACA2ESR1ESR2
SCHEMBL14007732 0.65 ESR2 (0.43) MIFCA2ESR1ESR2TTR
SCHEMBL9733592 0.63 DRD2 (0.35) MIFESR1ESR2TTR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2651886-B1 METHOD FOR DEPIGMENTING KERATIN MATERIALS USING RESORCINOL DERIVATIVES ORÉAL L (FR) 2015-03-04 EP disclosed
US-8937187-B2 Method for depigmenting keratin materials using resorcinol derivatives L'OREAL (FR) 2015-01-20 US disclosed
US-8937187-B2 Method for depigmenting keratin materials using resorcinol derivatives L'OREAL (FR) 2015-01-20 US disclosed
US-20130281507-A1 METHOD FOR DEPIGMENTING KERATIN MATERIALS USING RESORCINOL DERIVATIVES L'OREAL (FR) 2013-10-24 US disclosed
US-20130281507-A1 METHOD FOR DEPIGMENTING KERATIN MATERIALS USING RESORCINOL DERIVATIVES L'OREAL (FR) 2013-10-24 US disclosed
WO-2012079938-A1 METHOD FOR DEPIGMENTING KERATIN MATERIALS USING RESORCINOL DERIVATIVES L'OREAL (FR) 2012-06-21 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-20130281507-A1 METHOD FOR DEPIGMENTING KERATIN MATERIALS USING RESORCINOL DERIVATIVES KRT18, KLHL20, IK MIF 4772/4885POLB 1763/4885GAA 1369/4885

“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.