SCHEMBL5886112

SCHEMBL5886112

CC(C)(C)c1ccccc1Sc1ccc(S)c(C(=O)O)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.40
HDAC8 Q9BY41 1/20 0.40
NSD2 O96028 1/20 0.36
RBP4 P02753 1/20 0.36
POLB P06746 3/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA4 P22748 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
MCL1 Q07820 1/20 0.35
SIRT1 Q96EB6 1/20 0.35
LMNA P02545 1/20 0.34
HTT P42858 1/20 0.34
P2RY2 P41231 1/20 0.34
P2RY1 P47900 1/20 0.34

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
SCHEMBL4604515 0.73 MAPT (0.49) MAPTPOLBKDM4EALDH1A1TDP1
SCHEMBL28818585 0.73 ALDH1A1 (0.45) MAPTALDH1A1TDP1SIRT1ICAM1
SCHEMBL7926405 0.72 ALDH1A1 (0.41) MAPTNSD2RBP4CA2KDM4E
SCHEMBL29026508 0.70 HTR1A (0.39) RBP4CA2ALDH1A1TDP1P2RY2
SCHEMBL28818579 0.70 MMP2 (0.39) CA2ALDH1A1TDP1SIRT1
SCHEMBL4603431 0.69 DTYMK (0.57) MAPTPOLBKDM4EALDH1A1TDP1
SCHEMBL5712968 0.69 TAS2R14 (0.36) MAPTPOLBKDM4ELMNAHTT
Propionaldehyde SCHEMBL5712970 0.69 TAS2R14 (0.36) MAPTNSD2RBP4KDM4ELMNA
SCHEMBL4605316 0.69 AKR1C3 (0.46) RBP4POLBKDM4EALDH1A1MCL1
SCHEMBL19599640 0.68 SLC6A9 (0.52) MAPTNSD2POLBCA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7004979-B2 Dyeing composition comprising at least one diaminopyrazole oxidation base and at least one pyrazolo-azole coupling agent L'OREAL S.A. (FR) 2006-02-28 US disclosed
US-20040237220-A1 Dyeing composition comprising a diaminopyrazole-type oxidation base and a pyrazolo-azole coupling agent L'OREAL S.A. (FR) 2004-12-02 US disclosed
EP-1432391-A1 DYEING COMPOSITION COMPRISING A DIAMINOPYRAZOLE-TYPE OXIDATION BASE AND A PYRAZOLO-AZOLE COUPLING AGENT L'OREAL (FR) 2004-06-30 EP disclosed
WO-2003028686-A1 DYEING COMPOSITION COMPRISING A DIAMINOPYRAZOLE-TYPE OXIDATION BASE AND A PYRAZOLO-AZOLE COUPLING AGENT L'OREAL (FR) 2003-04-10 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-20040237220-A1 Dyeing composition comprising a diaminopyrazole-type oxidation base and a pyrazolo-azole coupling agent KRT18, PPOX, NOX5 MAPT 314/4885HDAC8 2035/4885NSD2 3471/4885

“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.