SCHEMBL3250713

SCHEMBL3250713

O=CCCCCCc1ccc(F)c2ccccc12

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.45
DAO P14920 1/20 0.38
HTT P42858 2/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
MPO P05164 3/20 0.32
SLC6A4 P31645 1/20 0.32
SLC2A1 P11166 1/20 0.31
FFAR1 O14842 1/20 0.31
TSHR P16473 1/20 0.31
MGLL Q99685 1/20 0.30
HTR6 P50406 1/20 0.30
FABP4 P15090 1/20 0.30
ALDH1A1 P00352 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
KDM4E B2RXH2 1/20 0.30

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
SCHEMBL3244602 0.81 CYP1A2 (0.42) DAOHPGDSLC6A4SLC2A1TSHR
SCHEMBL3247822 0.80 HDAC1 (0.34) SIGMAR1SLC2A1
SCHEMBL3250711 0.77 SIGMAR1 (0.42) SIGMAR1DAOHTTLMNAMAPT
SCHEMBL3242867 0.77 SLC2A1 (0.56) HTTLMNAMAPTSLC6A4SLC2A1
SCHEMBL3244852 0.77 MTNR1A (0.44) SIGMAR1DAO
SCHEMBL4039132 0.75 DAO (0.43) SIGMAR1DAOHTTLMNAMAPT
SCHEMBL7184372 0.75 HPRT1 (0.42) SIGMAR1TSHRALDH1A1
SCHEMBL3225216 0.75 MTNR1A (0.45) SIGMAR1DAO
SCHEMBL214311 0.73 BID (0.35) MAPTHPGDTSHRMGLLALDH1A1
SCHEMBL7176833 0.73 HPRT1 (0.44) TSHRALDH1A1

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 SIGMAR1 1484/4885DAO 386/4885HTT 3024/4885

“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.