SCHEMBL4747752

SCHEMBL4747752

[c]1nncc2cc3ccccc3cc12

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.34
GLA P06280 1/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
ACHE P22303 1/20 0.34
CYP1A2 P05177 2/20 0.33
CYP2A6 P11509 2/20 0.33
NQO2 P16083 1/20 0.33
PDPK1 O15530 1/20 0.33
CYP3A4 P08684 1/20 0.31
ALOX15 P16050 1/20 0.31
CASP1 P29466 1/20 0.31
CASP7 P55210 1/20 0.31
HBB P68871 1/20 0.31
HIF1A Q16665 1/20 0.31
HSD17B10 Q99714 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL2957 0.80 CYP2A6 (0.32) ALDH1A1MAPTCYP1A2CYP2A6CYP3A4
SCHEMBL28068731 0.78 KDM4E (0.31) ALDH1A1CYP1A2CYP2A6CYP3A4
Hydrochloric Acid SCHEMBL28618702 0.78 KDM4E (0.33) ALDH1A1MAPTCYP1A2CYP2A6CYP3A4
SCHEMBL8606886 0.71 ALDH1A1 (0.48) ALDH1A1GLAMAPTHPGDACHE
SCHEMBL13156515 0.69 ALDH1A1 (0.46) ALDH1A1GLAMAPTHPGDACHE
SCHEMBL13156571 0.69 ALDH1A1 (0.46) ALDH1A1GLAMAPTHPGDACHE
SCHEMBL3141049 0.68 ALDH1A1 (0.41) ALDH1A1GLAMAPTHPGDACHE
SCHEMBL2140440 0.65 NQO2 (0.41) ALDH1A1GLAMAPTHPGDACHE
Anthracene SCHEMBL29352043 0.65 CYP2A6 (0.64) ALDH1A1GLAMAPTHPGDACHE
Anthracene SCHEMBL7703 0.65 CYP2A6 (0.64) ALDH1A1GLAMAPTHPGDACHE

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
WO-2008130515-A1 ANTI-CANCER AGENTS, COMPOSITIONS AND METHODS OF TREATING CANCERS ACB, LLC (US) 2008-10-30 WO disclosed
US-20080255175-A1 Anti-cancer agents, compositions and methods of treating cancers ACB, LLC 2008-10-16 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-20080255175-A1 Anti-cancer agents, compositions and methods of treating cancers HCCS, EPOR, RAD51 ALDH1A1 2244/4885GLA 1357/4885MAPT 4702/4885

“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.