SCHEMBL7904045

SCHEMBL7904045

CCNCc1c2ccccc2cc2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
HSD17B10 Q99714 4/20 0.41
CYP1A2 P05177 4/20 0.41
CYP2C19 P33261 2/20 0.41
HTR1B P28222 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CCR4 P51679 1/20 0.40
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
POLB P06746 1/20 0.38
ABCB1 P08183 1/20 0.38
ALDH1A1 P00352 5/20 0.37
HPGD P15428 4/20 0.37
KDM4E B2RXH2 3/20 0.37
MAPT P10636 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
GAA P10253 1/20 0.37
TLR7 Q9NYK1 1/20 0.37

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
SCHEMBL5101331 0.87 HTR2A (0.58) HTR2AL3MBTL1HSD17B10CYP1A2CYP2C19
SCHEMBL4109207 0.86 ABCB1 (0.43) HTR2AL3MBTL1CYP1A2CYP2C19HTR1B
SCHEMBL17013852 0.85 HTR2A (0.47) HTR2AL3MBTL1HSD17B10CYP1A2CYP2C19
SCHEMBL14543901 0.82 ABCB1 (0.45) HTR2AL3MBTL1CYP1A2CYP2C19CYP2D6
Hydrochloric Acid SCHEMBL3292392 0.80 ABCB1 (0.44) HTR2AL3MBTL1CYP1A2CYP2C19CYP2D6
SCHEMBL713198 0.79 HTR2A (0.54) HTR2AL3MBTL1HSD17B10CYP1A2CYP2C19
SCHEMBL29494584 0.79 HTR2A (0.54) HTR2AL3MBTL1HSD17B10CYP1A2CYP2C19
SCHEMBL15471003 0.79 SMN1; SMN2 (0.49) CYP1A2CYP2C19CYP2D6KMT2AMEN1
SCHEMBL11627125 0.78 CYP1A2 (0.65) HTR2AL3MBTL1HSD17B10CYP1A2CYP2C19
SCHEMBL5854479 0.78 HTR2A (0.48) HTR2AL3MBTL1ABCB1

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-20180214561-A1 EIGHT-ARM POLYETHYLENE GLYCOL DERIVATIVE, PRODUCTION METHOD THEREFOR, AND MODIFIEDBIO-RELATEDSUBSTANCETHEREOF XIAMEN SINOPEG BIOTECH CO., LTD. (CN) 2018-08-02 US disclosed
EP-1068216-A2 LIBRARIES OF OLIGOMERS LABELLED WITH DIFFERENT TAGS ISIS INNOVATION LIMITED (GB) 2001-01-17 EP disclosed
WO-1999060007-A2 LIBRARIES OF OLIGOMERS LABELLED WITH DIFFERENT TAGS ISIS INNOVATION LIMITED (GB) 1999-11-25 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-20180214561-A1 EIGHT-ARM POLYETHYLENE GLYCOL DERIVATIVE, PRODUCTION METHOD THEREFOR, AND MODIFIEDBIO-RELATEDSUBSTANCETHEREOF MRPL38, CXCL8, ALG8 HTR2A 4461/4885L3MBTL1 744/4885HSD17B10 759/4885

“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.