SCHEMBL7811923

SCHEMBL7811923

CNNc1ccccc1O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.43
ALDH1A1 P00352 5/20 0.43
KDM4E B2RXH2 4/20 0.43
LMNA P02545 4/20 0.43
NPC1 O15118 3/20 0.43
TDP1 Q9NUW8 2/20 0.43
CA12 O43570 2/20 0.43
CA2 P00918 2/20 0.43
POLB P06746 2/20 0.43
RECQL P46063 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
HPGD P15428 2/20 0.43
RAB9A P51151 2/20 0.43
HSD17B10 Q99714 2/20 0.43
GMNN O75496 1/20 0.43
EGFR P00533 1/20 0.43
FYN P06241 1/20 0.43
CA3 P07451 1/20 0.43
CYP3A4 P08684 1/20 0.43
MMP9 P14780 1/20 0.43

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
SCHEMBL11648181 0.84 NPC1 (0.53) MAPTALDH1A1KDM4ELMNANPC1
SCHEMBL457878 0.79
Hydrogen Sulfide SCHEMBL28274988 0.77 IDO1 (0.52) MAPTALDH1A1KDM4ELMNANPC1
Hydrochloric Acid SCHEMBL11322195 0.77 IDO1 (0.52) MAPTALDH1A1KDM4ELMNANPC1
Hydrochloric Acid SCHEMBL11320051 0.77 IDO1 (0.52) MAPTALDH1A1KDM4ELMNANPC1
SCHEMBL5792178 0.75 NPC1 (0.43) MAPTALDH1A1KDM4ELMNANPC1
SCHEMBL9396097 0.75 GABRA1 (0.41) MAPTALDH1A1KDM4ELMNANPC1
SCHEMBL24289348 0.74 MAPT (0.48) MAPTALDH1A1KDM4ELMNANPC1
SCHEMBL6842557 0.74
SCHEMBL22169178 0.73 ALDH1A1 (0.57) MAPTALDH1A1KDM4ELMNANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1896466-B1 N-LINKED HETEROCYCLIC ANTAGONISTS OF P2Y1 RECEPTOR USEFUL IN THE TREATMENT OF THROMBOTIC CONDITIONS BRISTOL MYERS SQUIBB CO (US) 2011-04-13 EP disclosed
US-20010005914-A1 OXIDATION DYES ANDREAS J. BITTNER 2001-07-05 US disclosed
US-6024768-A HUMAN HAIR COLORING; HAIR CONDITIONERS HANS SCHWARZKOPF GMBH & CO. KG (DE) 2000-02-15 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-20010005914-A1 OXIDATION DYES AOC1, CBR3, KRT18 MAPT 3633/4885ALDH1A1 26/4885KDM4E 606/4885

“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.