SCHEMBL21048186

SCHEMBL21048186

COCOc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1N

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.50
CYP3A4 P08684 1/20 0.50
LMNA P02545 3/20 0.45
HTT P42858 3/20 0.44
POLB P06746 2/20 0.44
GPR35 Q9HC97 3/20 0.41
TDP1 Q9NUW8 3/20 0.41
MAPT P10636 7/20 0.40
KMT2A Q03164 4/20 0.40
MEN1 O00255 3/20 0.40
KDM4E B2RXH2 2/20 0.40
MAPK1 P28482 2/20 0.40
G6PD P11413 1/20 0.40
PKM P14618 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
APOBEC3G Q9HC16 1/20 0.40
TTR P02766 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37

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
SCHEMBL21048200 0.87 ALDH1A1 (0.49) ALDH1A1CYP3A4LMNAHTTPOLB
SCHEMBL758077 0.87 ALDH1A1 (0.53) ALDH1A1CYP3A4LMNAHTTPOLB
SCHEMBL29406556 0.82 HTT (0.59) ALDH1A1CYP3A4LMNAHTTPOLB
SCHEMBL11524810 0.82 HTT (0.59) ALDH1A1CYP3A4LMNAHTTPOLB
SCHEMBL21048187 0.78 ALDH1A1 (0.47) ALDH1A1CYP3A4LMNAHTTPOLB
SCHEMBL30729438 0.78 HTT (0.68) ALDH1A1CYP3A4LMNAHTTTDP1
SCHEMBL755913 0.78 HTT (0.68) ALDH1A1CYP3A4LMNAHTTTDP1
SCHEMBL23884050 0.75 ALDH1A1 (0.38) ALDH1A1CYP3A4LMNAHTTPOLB
SCHEMBL11024840 0.75 ALDH1A1 (0.51) ALDH1A1CYP3A4LMNAHTTPOLB
SCHEMBL30234441 0.75 ALDH1A1 (0.38) ALDH1A1CYP3A4LMNAHTTPOLB

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-10617618-B2 Agent for oxidative dyeing of hair containing anisole derivatives HENKEL AG & CO. KGAA (DE) 2020-04-14 US disclosed
US-10617618-B2 Agent for oxidative dyeing of hair containing anisole derivatives HENKEL AG & CO. KGAA (DE) 2020-04-14 US disclosed
US-20190167551-A1 AGENT FOR OXIDATIVE DYEING OF HAIR CONTAINING ANISOLE DERIVATIVES HENKEL AG & CO. KGAA (DE) 2019-06-06 US disclosed
US-20190167551-A1 AGENT FOR OXIDATIVE DYEING OF HAIR CONTAINING ANISOLE DERIVATIVES HENKEL AG & CO. KGAA (DE) 2019-06-06 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 (2 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-10617618-B2 Agent for oxidative dyeing of hair containing anisole derivatives KRT18, COXFA4L2, KAT5 ALDH1A1 96/4885CYP3A4 3016/4885LMNA 1781/4885
US-20190167551-A1 AGENT FOR OXIDATIVE DYEING OF HAIR CONTAINING ANISOLE DERIVATIVES KRT18, COXFA4L2, KAT5 ALDH1A1 96/4885CYP3A4 3016/4885LMNA 1781/4885

“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.