SCHEMBL6323846

SCHEMBL6323846

CN(CCCl)c1ccc(O)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 2/20 0.41
EGFR P00533 3/20 0.37
ERBB2 P04626 3/20 0.37
ESR1 P03372 3/20 0.35
MAPT P10636 3/20 0.35
LMNA P02545 2/20 0.35
HBB P68871 2/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35
CA12 O43570 1/20 0.35
GMNN O75496 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA3 P07451 1/20 0.35
CYP3A4 P08684 1/20 0.35
TYR P14679 1/20 0.35
HPGD P15428 1/20 0.35
ALOX15 P16050 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
SCHEMBL6643854 0.80 L3MBTL1 (0.47) APPESR1MAPTLMNAHBB
SCHEMBL16416312 0.80 APP (0.42) APPESR1MAPTLMNAHBB
SCHEMBL6880339 0.80 ESR1 (0.42) APPEGFRESR1MAPTLMNA
SCHEMBL11050700 0.80 ALDH1A1 (0.48) EGFRERBB2MAPTLMNAHBB
SCHEMBL8149499 0.78 ALDH1A1 (0.50) EGFRERBB2MAPTLMNAHBB
Hydrochloric Acid SCHEMBL9661413 0.78 L3MBTL1 (0.46) APPESR1MAPTLMNAHBB
SCHEMBL22542480 0.78 TAAR1 (0.41) APPESR1MAPTLMNAHBB
SCHEMBL28733423 0.78 APP (0.41) APPESR1MAPTLMNAHBB
SCHEMBL6738124 0.77 EGFR (0.46) EGFRERBB2MAPTLMNAMEN1
SCHEMBL905253 0.77 EGFR (0.49) EGFRERBB2MAPTLMNAHBB

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-20050209320-A1 Anti-cancer compounds and methods of use thereof GTX, INC. 2005-09-22 US disclosed
US-6303569-B1 POLYMERIC-BASED DOUBLE PRODRUGS HAVING REVERSIBLE LINKAGES INVOLVING AMINO OR HYDROXYL MOIETIES OF CHEMICAL COMPOUNDS AND BIOLOGICALLY ACTIVE MATERIALS SUCH AS ENZYMES, PROTEINS ENZON, INC. 2001-10-16 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-20050209320-A1 Anti-cancer compounds and methods of use thereof AR, BRDT, BAD APP 4717/4885EGFR 18/4885ERBB2 36/4885

“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.