SCHEMBL3249871

SCHEMBL3249871

c1ccc2c(CC3CC3)cccc2c1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.61
ALDH1A1 P00352 2/20 0.55
MAPT P10636 2/20 0.55
MEN1 O00255 1/20 0.55
HPGD P15428 1/20 0.55
KMT2A Q03164 1/20 0.55
GAA P10253 1/20 0.53
HSD17B10 Q99714 1/20 0.53
CYP1A2 P05177 2/20 0.52
CYP2C19 P33261 2/20 0.52
CYP2C9 P11712 1/20 0.52
ACHE P22303 1/20 0.50
ATM Q13315 1/20 0.48
SLC18A2 Q05940 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
SLC6A2 P23975 1/20 0.46
SLC6A4 P31645 1/20 0.46
ACP3 P15309 1/20 0.46
TSHR P16473 1/20 0.45

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
SCHEMBL28926014 0.92 CYP2D6 (0.58) CYP2D6ALDH1A1MAPTMEN1HPGD
SCHEMBL3247871 0.90 ATM (0.58) CYP2D6ALDH1A1MAPTMEN1HPGD
SCHEMBL11354054 0.87 CYP2D6 (0.62) CYP2D6ALDH1A1MAPTMEN1HPGD
Hydrochloric Acid SCHEMBL16113966 0.85 CYP2D6 (0.60) CYP2D6ALDH1A1MAPTMEN1HPGD
SCHEMBL845626 0.78 CYP2D6 (0.56) CYP2D6ALDH1A1MAPTMEN1HPGD
SCHEMBL15282667 0.78 CYP2D6 (0.56) CYP2D6ALDH1A1MAPTMEN1HPGD
Water SCHEMBL5605435 0.76 CYP2D6 (0.54) CYP2D6ALDH1A1MAPTMEN1HPGD
SCHEMBL15670258 0.76 CYP2D6 (0.64) CYP2D6ALDH1A1MAPTMEN1HPGD
SCHEMBL3090690 0.76 CYP2D6 (0.54) CYP2D6ALDH1A1MAPTMEN1HPGD
SCHEMBL29910990 0.76 CYP2D6 (0.54) CYP2D6ALDH1A1MAPTMEN1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116249937-A Novel naphthalimide sulfonate derivative, photoacid generator comprising the same, and photoresist composition comprising the same 株式会社三养社 2023-06-09 CN disclosed
EP-1167366-B1 AMINE DERIVATIVES DAIICHI SANKYO CO LTD (JP) 2010-05-05 EP disclosed
US-6562849-B1 Amine compound or pharmacologically acceptable salt thereof. These compounds are useful in the treatment and/or prophylaxis of diseases such as diabetes, hyperlipemia, arteriosclerosis, cancer, etc. SANKYO COMPANY, LIMITED (JP) 2003-05-13 US disclosed
US-20030078426-A1 Amine derivative compounds SANKYO COMPANY, LIMITED (JP) 2003-04-24 US disclosed
EP-1167366-A1 AMINE DERIVATIVES Sankyo Company, Limited (JP) 2002-01-02 EP 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-20030078426-A1 Amine derivative compounds H1-10, APOB, PRMT1 CYP2D6 2600/4885ALDH1A1 874/4885MAPT 4153/4885

“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.