SCHEMBL5009552

SCHEMBL5009552

Cc1cc(C#Cc2ccccc2)cc(C)n1.O=C(O)CNCC(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 13/20 0.46
FFAR4 Q5NUL3 2/20 0.46
EGLN1 Q9GZT9 3/20 0.45
GRM5 P41594 2/20 0.43
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
TP53 P04637 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
PKM P14618 1/20 0.41
HPGD P15428 1/20 0.41
ALOX15 P16050 1/20 0.41
CYP2C19 P33261 1/20 0.41
THPO P40225 1/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL13377842 0.82 GRM5 (0.57) GRM5KDM4EALDH1A1MEN1NPC1
SCHEMBL1390029 0.70 VCP (0.63) GRM5KDM4EALDH1A1MEN1NPC1
SCHEMBL364451 0.70 VCP (0.58) ALDH1A1MEN1NPC1CYP1A2CYP3A4
SCHEMBL8224583 0.70 KDM4E (0.41) EGLN1KDM4EALDH1A1NPC1CYP3A4
SCHEMBL19529556 0.68 GRM5 (0.42) GRM5KDM4EALDH1A1MEN1NPC1
SCHEMBL17053169 0.68 ALDH1A1 (0.37) FFAR1KDM4EALDH1A1KMT2ASMN1; SMN2
SCHEMBL6429786 0.68 GRM5 (0.62) GRM5KDM4EALDH1A1MEN1NPC1
Neocuproine SCHEMBL10556003 0.67 CCR1 (0.56) EGLN1KDM4EALDH1A1MEN1CYP1A2
SCHEMBL3720496 0.67 CYP2A6 (0.43) FFAR1GRM5KDM4EALDH1A1MEN1
SCHEMBL8544878 0.67 LTB4R (0.45) KDM4EALDH1A1MEN1NPC1CYP1A2

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-20080305049-A1 Mri Contrast Agents for Diagnosis and Prognosis of Tumors YEDA RESEARCH AND DEVELOPMENT CO. LTD. AT THE WEIZMANN INSTITUTE OF SCIENCE (IL) 2008-12-11 US disclosed
EP-1848466-A2 MRI CONTRAST AGENTS FOR DIAGNOSIS AND PROGNOSIS OF TUMORS YEDA RESEARCH AND DEVELOPMENT CO., LTD. (IL) 2007-10-31 EP disclosed
WO-2006080022-A2 MRI CONTRAST AGENTS FOR DIAGNOSIS AND PROGNOSIS OF TUMORS YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2006-08-03 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-20080305049-A1 Mri Contrast Agents for Diagnosis and Prognosis of Tumors TFRC, FOLR1, CD14 FFAR1 799/4885FFAR4 1271/4885EGLN1 1973/4885

“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.