SCHEMBL6209725

SCHEMBL6209725

COC(=O)CCCCc1cc(N)cc(F)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.40
PDE3B Q13370 1/20 0.39
PDE3A Q14432 1/20 0.39
P2RY12 Q9H244 1/20 0.39
HPGD P15428 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
HSD17B10 Q99714 1/20 0.38
LMNA P02545 2/20 0.37
HDAC8 Q9BY41 1/20 0.36
MAPK13 O15264 1/20 0.36
MAPK12 P53778 1/20 0.36
MAPK11 Q15759 1/20 0.36
MAPK14 Q16539 1/20 0.36
CA12 O43570 1/20 0.35
CA2 P00918 1/20 0.35

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
SCHEMBL22300585 0.89 CYP11B1 (0.39) TSHRKMT2AALDH1A1KDM4EGAA
SCHEMBL19438810 0.79 TSHR (0.40) TSHRPDE3BPDE3AP2RY12MEN1
SCHEMBL6210270 0.79 KMT2A (0.42) TSHRPDE3BPDE3AP2RY12HPGD
SCHEMBL6194181 0.78 HDAC6 (0.50) PDE3BPDE3AP2RY12HPGD
SCHEMBL34471006 0.78 TSHR (0.41) TSHRHPGDMEN1KMT2ACA12
SCHEMBL29263663 0.77 HDAC6 (0.52) PDE3BPDE3AP2RY12HPGD
Hydrochloric Acid SCHEMBL28005596 0.77 HDAC6 (0.49) PDE3BPDE3AP2RY12HPGD
SCHEMBL9689657 0.76 MAOB (0.48) TSHRPDE3BPDE3AP2RY12HPGD
SCHEMBL3258106 0.76 CA12 (0.52) TSHRPDE3BPDE3AP2RY12HPGD
Hydrochloric Acid SCHEMBL5254248 0.76 TSHR (0.43) TSHRMEN1KMT2AALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050288273-A1 Antibacterial agents BOYER FREDERICK E JR 2005-12-29 US disclosed
EP-1594865-A2 ANTIBACTERIAL AGENTS Warner-Lambert Company LLC (US) 2005-11-16 EP disclosed
WO-2004069832-A2 ANTIBACTERIAL AGENTS WARNER-LAMBERT COMPANY LLC (US) 2004-08-19 WO 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-20050288273-A1 Antibacterial agents MRPL21, RPN2, FBL TSHR 4486/4885PDE3B 778/4885PDE3A 702/4885

“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.