SCHEMBL18179630

SCHEMBL18179630

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

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 5/20 0.39
ALDH1A1 P00352 1/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
P2RX7 Q99572 4/20 0.38
DDB1 Q16531 1/20 0.37
CRBN Q96SW2 1/20 0.37
SIGMAR1 Q99720 1/20 0.36
ADRB1 P08588 1/20 0.35

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
SCHEMBL18179635 0.86 SIGMAR1 (0.42) TSHRSIGMAR1
Hydrochloric Acid SCHEMBL28473625 0.82 SIGMAR1 (0.39) TSHRP2RX7SIGMAR1
SCHEMBL18179627 0.82 DDB1 (0.43) C5AR1ALOX15P2RX7DDB1CRBN
SCHEMBL18179628 0.82 P2RX7 (0.40) C5AR1ALDH1A1ALOX15TSHRP2RX7
SCHEMBL8873384 0.82 SIGMAR1 (0.50) ALDH1A1P2RX7DDB1CRBNSIGMAR1
SCHEMBL16834193 0.82 ATM (0.40) C5AR1ALDH1A1SIGMAR1ADRB1
SCHEMBL28473624 0.80 SIGMAR1 (0.37) TSHRP2RX7SIGMAR1
SCHEMBL18179626 0.77 DDB1 (0.40) ALDH1A1P2RX7DDB1CRBNSIGMAR1
SCHEMBL6289904 0.73 SIGMAR1 (0.46) ALDH1A1P2RX7SIGMAR1
Hydrochloric Acid SCHEMBL1609149 0.73 ADRB1 (0.44) C5AR1ALDH1A1ALOX15TSHRADRB1

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 C5AR1 2005/4885ALDH1A1 2447/4885ALOX15 24/4885

“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.