SCHEMBL6865242

SCHEMBL6865242

Clc1ccc2cc3cc(Br)ccc3cc2c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 3/20 0.52
KDM4E B2RXH2 1/20 0.48
MEN1 O00255 1/20 0.48
ALDH1A1 P00352 1/20 0.48
MAPT P10636 1/20 0.48
KMT2A Q03164 1/20 0.48
BACE1 P56817 2/20 0.38
F11 P03951 1/20 0.36
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
MGAM O43451 1/20 0.36
GAA P10253 1/20 0.36
SI P14410 1/20 0.36
MGAM2 Q2M2H8 1/20 0.36
AHR P35869 4/20 0.35
NR4A2 P43354 2/20 0.35
CMA1 P23946 1/20 0.35
F7 P08709 1/20 0.35
LTA4H P09960 1/20 0.35
F3 P13726 1/20 0.35

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
SCHEMBL1249703 0.95 CYP2A6 (0.56) CYP2A6KDM4EMEN1ALDH1A1MAPT
SCHEMBL19244137 0.93 CYP2A6 (0.54) CYP2A6KDM4EMEN1ALDH1A1MAPT
Ammonia Solution, Strong SCHEMBL28906344 0.93 CYP2A6 (0.54) CYP2A6KDM4EMEN1ALDH1A1MAPT
SCHEMBL9727032 0.86 CYP2A6 (0.74) CYP2A6KDM4EMEN1ALDH1A1MAPT
SCHEMBL23312077 0.84 CYP2A6 (0.68) CYP2A6KDM4EMEN1ALDH1A1MAPT
SCHEMBL17849092 0.84 CYP2A6 (0.68) CYP2A6KDM4EMEN1ALDH1A1MAPT
SCHEMBL4288341 0.84 CYP2A6 (0.68) CYP2A6ALDH1A1F11AHRNR4A2
SCHEMBL11302716 0.84 CYP2A6 (0.68) CYP2A6ALDH1A1F11AHRNR4A2
SCHEMBL148642 0.84 CYP2A6 (0.68) CYP2A6KDM4EMEN1ALDH1A1MAPT
SCHEMBL17849089 0.84 CYP2A6 (0.68) CYP2A6KDM4EMEN1ALDH1A1MAPT

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-6723870-B2 REACTING A METAL HYDRIDE WITH AN ANTHRAQUINONE, DEKETALIZATION; DYE INTERMEDIATES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2004-04-20 US disclosed
US-20030069443-A1 Method for producing anthracenes SUMITOMO CHEMICAL COMPANY, LIMITED 2003-04-10 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-20030069443-A1 Method for producing anthracenes AKR7A2, ADH1A, CYP2E1 CYP2A6 13/4885KDM4E 4274/4885MEN1 484/4885

“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.