SCHEMBL594161

SCHEMBL594161

CCCCn1c(-c2ccccc2)cnc1-c1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.63
HPGDS O60760 2/20 0.49
NR1H3 Q13133 1/20 0.48
KDM4E B2RXH2 2/20 0.47
HSD17B10 Q99714 2/20 0.47
ALDH1A1 P00352 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
LMNA P02545 1/20 0.46
HSD11B1 P28845 2/20 0.45
PDE4B Q07343 2/20 0.45
HPGD P15428 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
LDLR P01130 1/20 0.43
PCSK9 Q8NBP7 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.40
GAA P10253 1/20 0.40
EPHB4 P54760 1/20 0.40

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
SCHEMBL10616089 0.87 TSHR (0.58) TSHRHPGDSNR1H3KDM4EHSD17B10
SCHEMBL650528 0.85 TSHR (0.65) TSHRHPGDSNR1H3KDM4EHSD17B10
SCHEMBL16193332 0.83 KDM4E (0.59) TSHRHPGDSKDM4EHSD17B10ALDH1A1
SCHEMBL27576608 0.80 TSHR (0.58) TSHRNR1H3KDM4EHSD17B10ALDH1A1
SCHEMBL650440 0.80 TSHR (0.58) TSHRNR1H3KDM4EHSD17B10ALDH1A1
SCHEMBL647603 0.79 TSHR (0.56) TSHRNR1H3KDM4EHSD17B10ALDH1A1
SCHEMBL650017 0.79 TSHR (0.56) TSHRNR1H3KDM4EHSD17B10ALDH1A1
SCHEMBL14572789 0.79 TSHR (0.56) TSHRHPGDSNR1H3KDM4EHSD17B10
SCHEMBL28752277 0.79 TSHR (0.56) TSHRNR1H3KDM4EHSD17B10ALDH1A1
SCHEMBL22560057 0.78 TDP1 (0.65) TSHRALDH1A1TDP1LMNAPDE4B

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-8114993-B2 Use of aryl chlorides in palladium-catalyzed C-H bond functionalization THE UNIVERSITY OF HOUSTON SYSTEM (US) 2012-02-14 US disclosed
US-8114993-B2 Use of aryl chlorides in palladium-catalyzed C-H bond functionalization THE UNIVERSITY OF HOUSTON SYSTEM (US) 2012-02-14 US disclosed
US-20090012293-A1 USE OF ARYL CHLORIDES IN PALLADIUM-CATALYZED C-H BOND FUNCTIONALIZATION THE UNIVERSITY OF HOUSTON SYSTEM (US) 2009-01-08 US disclosed
US-20090012293-A1 USE OF ARYL CHLORIDES IN PALLADIUM-CATALYZED C-H BOND FUNCTIONALIZATION THE UNIVERSITY OF HOUSTON SYSTEM (US) 2009-01-08 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-20090012293-A1 USE OF ARYL CHLORIDES IN PALLADIUM-CATALYZED C-H BOND FUNCTIONALIZATION DBH, DDT, CYCS TSHR 3350/4885HPGDS 1737/4885NR1H3 989/4885

“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.