SCHEMBL18179628

SCHEMBL18179628

Cc1ccccc1N1CCN(c2c(C(C)C)cccc2C(C)C)C1=S

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 4/20 0.40
C5AR1 P21730 4/20 0.39
DPP4 P27487 2/20 0.38
NR1H2 P55055 1/20 0.38
NR1H3 Q13133 1/20 0.38
ALDH1A1 P00352 2/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
DDB1 Q16531 1/20 0.37
CRBN Q96SW2 1/20 0.37
ANPEP P15144 1/20 0.37
MAPT P10636 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL18179630 0.82 C5AR1 (0.39) P2RX7C5AR1ALDH1A1ALOX15TSHR
SCHEMBL18179627 0.82 DDB1 (0.43) P2RX7C5AR1ALOX15DDB1CRBN
SCHEMBL16834010 0.82 ALDH1A1 (0.43) C5AR1ALDH1A1MAPT
SCHEMBL18179624 0.77 DDB1 (0.40) P2RX7ALDH1A1DDB1CRBN
Hydrochloric Acid SCHEMBL1609149 0.73 ADRB1 (0.44) C5AR1ALDH1A1ALOX15TSHR
SCHEMBL15826554 0.72 FAAH (0.43) DPP4NR1H2NR1H3ALDH1A1ALOX15
SCHEMBL30265954 0.72 FAAH (0.43) DPP4NR1H2NR1H3ALDH1A1ALOX15
SCHEMBL23729048 0.72 ALDH1A1 (0.39) C5AR1ALDH1A1ALOX15TSHR
SCHEMBL24631896 0.71 ALDH1A1 (0.40) C5AR1DPP4NR1H2NR1H3ALDH1A1
SCHEMBL20365239 0.70 ALDH1A1 (0.40) C5AR1DPP4NR1H2NR1H3ALDH1A1

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-9862734-B2 Metal-ligand complex, olefin polymerization catalyst derived therefrom, and olefin polymerization method utilizing the catalyst DOW GLOBAL TECHNOLOGIES LLC (US) 2018-01-09 US disclosed
US-20160311837-A1 METAL-LIGAND COMPLEX, OLEFIN POLYMERIZATION CATALYST DERIVED THEREFROM, AND OLEFIN POLYMERIZATION METHOD UTILIZING THE CATALYST DOW GLOBAL TECHNOLOGIES LLC 2016-10-27 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-20160311837-A1 METAL-LIGAND COMPLEX, OLEFIN POLYMERIZATION CATALYST DERIVED THEREFROM, AND OLEFIN POLYMERIZATION METHOD UTILIZING THE CATALYST OPRM1, WASF2, WEE1 P2RX7 4042/4885C5AR1 2005/4885DPP4 4866/4885

“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.