SCHEMBL4959627

SCHEMBL4959627

CC(C)(C)[Si](C)(C)OCCCOc1ccc(COC(O)c2ccc(OCCCO[Si](C)(C)C(C)(C)C)cc2)cc1

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.34
RXRA P19793 1/20 0.33
RXRB P28702 1/20 0.33
DUT P33316 1/20 0.33
RAB9A P51151 2/20 0.33
ITGB3 P05106 1/20 0.33
ITGA2B P08514 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
FFAR1 O14842 3/20 0.32
PPARG P37231 2/20 0.32
SLC2A1 P11166 2/20 0.32
MAPT P10636 1/20 0.32
PPARD Q03181 1/20 0.32
PPARA Q07869 1/20 0.32
KDM4E B2RXH2 1/20 0.32
NPC1 O15118 1/20 0.32
POLB P06746 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
SCHEMBL4959621 0.81 DUT (0.39) DUTSMN1; SMN2MAPT
SCHEMBL1629693 0.78 HRH3 (0.43) DUTMEN1KMT2ASMN1; SMN2PPARG
SCHEMBL25369942 0.78 LTA4H (0.50) DUT
SCHEMBL1627357 0.76 HRH3 (0.43) DUTSMN1; SMN2PPARGPPARAPOLB
SCHEMBL17100290 0.73 PPARA (0.36) DUTSLC2A1PPARA
Ether SCHEMBL4959618 0.73 HRH3 (0.39) HTTDUTMEN1KMT2ASMN1; SMN2
SCHEMBL20568979 0.72 APP (0.41) DUTSMN1; SMN2KDM4E
SCHEMBL578484 0.72 KDM4E (0.53) DUTKDM4E
SCHEMBL20204806 0.72 MAPT (0.47) DUTRAB9AMEN1KMT2AMAPT
SCHEMBL7746323 0.72 PPARA (0.52) KMT2APPARGMAPTPPARDPPARA

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-8226929-B2 Administering to a patient a contrast agent (pyridimifen, fenazaquin) which comprises a compound that binds MC-1, and an imaging moiety, and scanning the patient using diagnostic imaging LANTHEUS MEDICAL IMAGING, INC. (US) 2012-07-24 US disclosed
US-20080112884-A1 CONTRAST AGENTS FOR MYOCARDIAL PERFUSION IMAGING BRISTOL-MYERS SQUIBB PHARMA COMPANY 2008-05-15 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-20080112884-A1 CONTRAST AGENTS FOR MYOCARDIAL PERFUSION IMAGING TNNI3, TNNT2, FABP3 HTT 4145/4885RXRA 3869/4885RXRB 3368/4885

“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.