SCHEMBL17779196

SCHEMBL17779196

COc1ccc(CCNC(=O)c2cc(N)ccc2O)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.62
THRA P10827 1/20 0.60
THRB P10828 1/20 0.60
KMT2A Q03164 2/20 0.55
GAA P10253 4/20 0.55
ALDH1A1 P00352 2/20 0.55
SMN1; SMN2 Q16637 5/20 0.55
POLB P06746 2/20 0.53
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
LMNA P02545 2/20 0.52
EGLN1 Q9GZT9 1/20 0.52
CA12 O43570 1/20 0.52
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
CA4 P22748 1/20 0.52
CA5A P35218 1/20 0.52

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
SCHEMBL4395135 0.93 THRB (0.60) SYKTHRATHRBKMT2AGAA
SCHEMBL17774854 0.86 MAPK1 (0.50) SYKSMN1; SMN2POLBLMNA
SCHEMBL17774871 0.85 SYK (0.60) SYKGAASMN1; SMN2CYP1A2CYP2D6
SCHEMBL4928709 0.83 SYK (0.58) SYKTHRATHRBKMT2AALDH1A1
SCHEMBL5071230 0.82 THRA (0.57) SYKTHRATHRBKMT2AGAA
SCHEMBL3236742 0.82 ALDH1A1 (0.62) SYKTHRATHRBKMT2AGAA
SCHEMBL25474382 0.81 KMT2A (0.62) SYKTHRATHRBKMT2AGAA
SCHEMBL4925058 0.80 ALOX5 (0.52) THRBKMT2AALDH1A1SMN1; SMN2CYP3A4
SCHEMBL30259890 0.80 ALDH1A1 (0.65) SYKTHRATHRBKMT2AGAA
SCHEMBL4399978 0.79 MAPT (0.69) SYKTHRATHRBKMT2AGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9872822-B2 Process for dyeing in the presence of oxidation bases comprising at least one sulfonic, sulfonamide, sulfone, amid or acid group and a metal catalyst, device and ready-to-use composition L'OREAL (FR) 2018-01-23 US disclosed
US-20160143826-A1 PROCESS FOR DYEING IN THE PRESENCE OF OXIDATION BASES COMPRISING AT LEAST ONE SULFONIC, SULFONAMIDE, SULFONE, AMID OR ACID GROUP AND A METAL CATALYST, DEVICE AND READY-TO-USE COMPOSITION L'OREAL (FR) 2016-05-26 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-20160143826-A1 PROCESS FOR DYEING IN THE PRESENCE OF OXIDATION BASES COMPRISING AT LEAST ONE SULFONIC, SULFONAMIDE, SULFONE, AMID OR ACID GROUP AND A METAL CATALYST, DEVICE AND READY-TO-USE COMPOSITION KRT18, ARSA, SQOR SYK 1957/4885THRA 3016/4885THRB 3845/4885

“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.