SCHEMBL3249388

SCHEMBL3249388

FC(F)(F)C(c1cccc2ccccc12)(C(F)(F)F)C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.43
HSD17B10 Q99714 5/20 0.43
HPGD P15428 3/20 0.43
KDM4E B2RXH2 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
GLA P06280 1/20 0.43
POLB P06746 1/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
ATM Q13315 1/20 0.43
CYP2A6 P11509 3/20 0.42
TSHR P16473 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
CYP1A2 P05177 4/20 0.39
CYP3A4 P08684 1/20 0.39
KEAP1 Q14145 1/20 0.39
HPRT1 P00492 1/20 0.39
ACP3 P15309 1/20 0.39
ULK1 O75385 1/20 0.38

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
SCHEMBL15913865 0.82 ALDH1A1 (0.43) ALDH1A1HSD17B10HPGDKDM4EMEN1
SCHEMBL18936152 0.82 ALDH1A1 (0.43) ALDH1A1HSD17B10HPGDKDM4EMEN1
SCHEMBL1161290 0.81 KDM4E (0.53) ALDH1A1HSD17B10HPGDKDM4EMEN1
SCHEMBL29599325 0.81 KDM4E (0.53) ALDH1A1HSD17B10HPGDKDM4EMEN1
SCHEMBL7613484 0.79 ALDH1A1 (0.43) ALDH1A1HSD17B10HPGDKDM4EMEN1
SCHEMBL28256740 0.78 ALDH1A1 (0.41) ALDH1A1HSD17B10HPGDKDM4EMEN1
SCHEMBL3885735 0.78 KDM4E (0.68) ALDH1A1HSD17B10HPGDKDM4EMEN1
Water SCHEMBL17537064 0.78 ALDH1A1 (0.41) ALDH1A1HSD17B10HPGDKDM4EMEN1
SCHEMBL17288573 0.77 KDM4E (0.42) ALDH1A1HSD17B10HPGDKDM4EMEN1
SCHEMBL8376250 0.77 KDM4E (0.46) ALDH1A1HSD17B10HPGDKDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 ALDH1A1 874/4885HSD17B10 776/4885HPGD 3923/4885

“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.