SCHEMBL3244602

SCHEMBL3244602

Cc1ccc(CCCCCC=O)c2ccccc12

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.42
SLC16A3 O15427 1/20 0.40
DAO P14920 1/20 0.38
TSHR P16473 1/20 0.34
SLC2A1 P11166 1/20 0.34
CYP2A6 P11509 1/20 0.33
BRD1 O95696 1/20 0.33
TAF1 P21675 1/20 0.33
BRPF1 P55201 1/20 0.33
CNR2 P34972 1/20 0.32
SLC6A4 P31645 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
HSD17B10 Q99714 1/20 0.32
TRPV1 Q8NER1 1/20 0.32

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
SCHEMBL3250713 0.81 SIGMAR1 (0.45) DAOTSHRSLC2A1SLC6A4KDM4E
SCHEMBL3242867 0.80 SLC2A1 (0.56) TSHRSLC2A1SLC6A4KDM4EALDH1A1
SCHEMBL11565109 0.80 TAAR1 (0.47) SLC16A3DAOTSHRKDM4EALDH1A1
SCHEMBL7650731 0.78 CYP1A2 (0.46) CYP1A2SLC16A3DAOCYP2A6CNR2
SCHEMBL585702 0.78 TAAR1 (0.48) SLC16A3DAOTSHRALDH1A1HPGD
SCHEMBL27455037 0.78 CYP1A2 (0.50) CYP1A2TSHRCYP2A6CNR2KDM4E
SCHEMBL3244601 0.77 CYP1A2 (0.42) CYP1A2SLC16A3DAOSLC2A1CYP2A6
SCHEMBL3247822 0.77 HDAC1 (0.34) SLC2A1
SCHEMBL3244852 0.77 MTNR1A (0.44) CYP1A2DAO
SCHEMBL7648088 0.76 CYP1A2 (0.48) CYP1A2SLC16A3DAOTSHRSLC2A1

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 CYP1A2 1561/4885SLC16A3 4388/4885DAO 386/4885

“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.