SCHEMBL4841692

SCHEMBL4841692

CCC#CNc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
HSD17B10 Q99714 3/20 0.41
CYP1A2 P05177 2/20 0.41
KDM4E B2RXH2 1/20 0.41
TSHR P16473 2/20 0.39
TDP1 Q9NUW8 3/20 0.36
CTSD P07339 1/20 0.36
NPSR1 Q6W5P4 2/20 0.35
ALOX15 P16050 1/20 0.35
ALOX12 P18054 1/20 0.35
PTGS1 P23219 1/20 0.35
SLC6A2 P23975 1/20 0.35
MAPK1 P28482 1/20 0.35
PTGS2 P35354 1/20 0.35
HTR2B P41595 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MAPT P10636 3/20 0.34
GAA P10253 2/20 0.33
IDO1 P14902 1/20 0.33
HPGD P15428 1/20 0.33

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
SCHEMBL17627923 0.78 MAPT (0.40) ALDH1A1HSD17B10CYP1A2KDM4ETSHR
SCHEMBL28133998 0.78 MAPT (0.36) ALDH1A1KDM4ETDP1MAPK1MAPT
SCHEMBL449614 0.78 TSHR (0.43) ALDH1A1HSD17B10CYP1A2TSHRTDP1
SCHEMBL2929976 0.77 CYP1A2 (0.46) ALDH1A1HSD17B10CYP1A2TSHRTDP1
SCHEMBL30521955 0.77 L3MBTL1 (0.39) ALDH1A1HSD17B10TSHRTDP1CTSD
SCHEMBL1922270 0.77 ALDH1A1 (0.50) ALDH1A1HSD17B10CYP1A2KDM4ETSHR
SCHEMBL28133068 0.77 MEN1 (0.43) ALDH1A1KDM4ETSHRNPSR1MAPT
SCHEMBL28134001 0.77 GRM5 (0.42) ALDH1A1HSD17B10CYP1A2TSHRTDP1
SCHEMBL10444136 0.76 TSHR (0.42) ALDH1A1HSD17B10CYP1A2KDM4ETSHR
Hydrochloric Acid SCHEMBL31017535 0.76 BLM (0.48) ALDH1A1HSD17B10CYP1A2TSHRTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080177085-A1 Process for the Synthesis of a CPLA2 Inhibitor DEHNHARDT CHRISTOPH M 2008-07-24 US disclosed
US-7342119-B2 Process for the synthesis of a CPLA2 inhibitor WYETH HOLDINGS CORPORATION 2008-03-11 US disclosed
US-20050070723-A1 Process for the synthesis of a CPLA2 inhibitor WYETH HOLDINGS CORPORATION (US) 2005-03-31 US disclosed
US-3954827-A HERBICIDES BASF AKTIENGESELLSCHAFT (DT) 1976-05-04 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 (2 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-20050070723-A1 Process for the synthesis of a CPLA2 inhibitor PLAA, PLA2G4A, PLA2G12A ALDH1A1 3682/4885HSD17B10 1535/4885CYP1A2 196/4885
US-20080177085-A1 Process for the Synthesis of a CPLA2 Inhibitor PLAA, PLA2G4A, PLA2G12A ALDH1A1 3682/4885HSD17B10 1535/4885CYP1A2 196/4885

“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.