SCHEMBL9968849

SCHEMBL9968849

CCOC(=O)C(CCSC)N1C(=O)CC(Cc2ccc(O)cc2O)C1=O

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.36
MME P08473 1/20 0.34
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
MAPK1 P28482 1/20 0.32
KDM4E B2RXH2 1/20 0.31
ALOX15 P16050 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
GAA P10253 1/20 0.30
MARS1 P56192 1/20 0.30

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
SCHEMBL9968845 0.89 MME (0.42) SMN1; SMN2MMEMAPK1KDM4EALOX15
SCHEMBL9968850 0.87 MME (0.45) MMECA12CA1CA2CA7
SCHEMBL9968848 0.86 MME (0.37) MMECA12CA1CA2CA7
SCHEMBL9938459 0.86 MME (0.31) MME
SCHEMBL9969503 0.85 MME (0.41) SMN1; SMN2MMECA12CA1CA2
SCHEMBL9969257 0.85 PTGS2 (0.36) MMECA12CA1CA2CA7
SCHEMBL9969512 0.85 MEN1 (0.36) MMECA12CA1CA2CA7
SCHEMBL9937402 0.84 ALDH1A1 (0.36) SMN1; SMN2MMECA12CA1CA2
SCHEMBL9937316 0.83 CA12 (0.38) MMECA12CA1CA2CA7
SCHEMBL9969500 0.83 HDAC3 (0.40) MMEKDM4EMEN1KMT2AGAA

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 12 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 claimed
US-8937187-B2 Method for depigmenting keratin materials using resorcinol derivatives L'OREAL (FR) 2015-01-20 US claimed
US-20130281507-A1 METHOD FOR DEPIGMENTING KERATIN MATERIALS USING RESORCINOL DERIVATIVES L'OREAL (FR) 2013-10-24 US claimed
EP-2651886-B1 METHOD FOR DEPIGMENTING KERATIN MATERIALS USING RESORCINOL DERIVATIVES ORÉAL L (FR) 2015-03-04 EP disclosed
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-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
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 SMN1; SMN2 4855/4885MME 2679/4885CA12 2917/4885

“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.