SCHEMBL18636795

SCHEMBL18636795

Cc1ccc(CCOc2ccc(CO)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.56
PPARD Q03181 1/20 0.51
PPARA Q07869 1/20 0.51
L3MBTL1 Q9Y468 2/20 0.49
KMT2A Q03164 1/20 0.48
DRD2 P14416 3/20 0.47
DRD4 P21917 3/20 0.47
DRD3 P35462 3/20 0.47
FFAR1 O14842 1/20 0.47
MAOB P27338 2/20 0.47
MAOA P21397 1/20 0.47
HRH3 Q9Y5N1 2/20 0.45
LTB4R Q15722 1/20 0.45
LTB4R2 Q9NPC1 1/20 0.45
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
LMNA P02545 1/20 0.44

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
SCHEMBL14173881 0.90 KCNH2 (0.65) KCNH2PPARDPPARAL3MBTL1KMT2A
SCHEMBL8389299 0.89 DRD2 (0.53) KCNH2L3MBTL1KMT2ADRD2DRD4
Hydrochloric Acid SCHEMBL27900832 0.88 KCNH2 (0.62) KCNH2PPARDPPARAL3MBTL1KMT2A
SCHEMBL28638094 0.85 KCNH2 (0.56) KCNH2PPARDPPARAL3MBTL1KMT2A
SCHEMBL19012412 0.83 KMT2A (0.60) KCNH2PPARDPPARAKMT2ADRD2
SCHEMBL22894194 0.83 KMT2A (0.60) KCNH2PPARDPPARAKMT2ADRD2
SCHEMBL5391064 0.83 FFAR1 (0.67) FFAR1NPC1RAB9A
SCHEMBL22894151 0.83 DRD2 (0.62) KCNH2PPARDPPARAL3MBTL1KMT2A
SCHEMBL15079877 0.83 DRD2 (0.62) KCNH2PPARDPPARAL3MBTL1KMT2A
SCHEMBL11135881 0.81 NPC1 (0.68) KCNH2PPARDPPARAKMT2ADRD2

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
US-9974869-B2 Chelated PSMA inhibitors CANCER TARGETED TECHNOLOGY LLC (US) 2018-05-22 US disclosed
US-20170072075-A1 Chelated PSMA Inhibitors CANCER TARGETED TECHNOLOGY LLC 2017-03-16 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-20170072075-A1 Chelated PSMA Inhibitors FOLH1, KLK3, PSMA1 KCNH2 4677/4885PPARD 1891/4885PPARA 2520/4885

“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.