SCHEMBL5144846

SCHEMBL5144846

FC(F)Oc1ccc(C2CCCCC2)cc1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.44
HRH3 Q9Y5N1 1/20 0.44
HAO1 Q9UJM8 1/20 0.44
ALDH1A1 P00352 3/20 0.43
TSHR P16473 1/20 0.43
MDM2 Q00987 1/20 0.43
SLC6A4 P31645 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
IDO1 P14902 1/20 0.41
KMT2A Q03164 2/20 0.40
LMNA P02545 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
FFAR2 O15552 1/20 0.39
MAPT P10636 1/20 0.39
GALR2 O43603 1/20 0.39
GALR1 P47211 1/20 0.39
HTT P42858 1/20 0.39

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
SCHEMBL5147786 0.98 ALDH1A1 (0.44) KCNH2HRH3HAO1ALDH1A1TSHR
SCHEMBL5144864 0.94 DRD1 (0.43) KCNH2HRH3HAO1ALDH1A1TSHR
SCHEMBL5146469 0.90 IDO1 (0.47) ALDH1A1TSHRMDM2SLC6A4IDO1
SCHEMBL8766989 0.87 IDO1 (0.42) ALDH1A1TSHRMDM2SLC6A4SMN1; SMN2
SCHEMBL4063657 0.83 IDO1 (0.41) ALDH1A1TSHRMDM2SLC6A4IDO1
SCHEMBL8452616 0.83 NPC1 (0.46) ALDH1A1SLC6A4IDO1KMT2ANPC1
SCHEMBL14924284 0.81 ESR2 (0.52) HRH3ALDH1A1TSHRMDM2IDO1
SCHEMBL8767282 0.80 MAPT (0.43) ALDH1A1TSHRMDM2SLC6A4SMN1; SMN2
SCHEMBL13906280 0.79 IDO1 (0.41) ALDH1A1TSHRMDM2SLC6A4IDO1
SCHEMBL13906463 0.79 IDO1 (0.41) ALDH1A1TSHRMDM2SLC6A4IDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009032249-A1 SOLUBLE GUANYLATE CYCLASE ACTIVATORS MERCK & CO., INC. (US) 2009-03-12 WO disclosed
US-20070299072-A1 KV1.5 POTASSIUM CHANNEL INHIBITORS WYETH (US) 2007-12-27 US 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-20070299072-A1 KV1.5 POTASSIUM CHANNEL INHIBITORS KCNA5, KCNH1, KCNK5 KCNH2 5/4885HRH3 3840/4885HAO1 1490/4885

“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.