SCHEMBL17425957

SCHEMBL17425957

CC(C)P(Cc1cccc(-c2cccc(CP(C(C)C)C(C)C)n2)n1)C(C)C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 2/20 0.37
CCR8 P51685 2/20 0.37
TRPV3 Q8NET8 3/20 0.36
METAP2 P50579 1/20 0.31
KCNH2 Q12809 1/20 0.31
KDM4E B2RXH2 1/20 0.30
LMNA P02545 1/20 0.30
TP53 P04637 1/20 0.30
ALPL P05186 1/20 0.30
HSP90AA1 P07900 1/20 0.30
ALPI P09923 1/20 0.30
ALPG P10696 1/20 0.30
ALOX15 P16050 1/20 0.30
MAPK1 P28482 1/20 0.30
HTT P42858 1/20 0.30
CCR5 P51681 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
NOS1 P29475 1/20 0.30

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
SCHEMBL26886755 0.93 TGFBR1 (0.33) CCR1CCR8TRPV3KCNH2
SCHEMBL26788249 0.91 TLR7 (0.32) CCR1CCR8TRPV3NOS1NOS2
SCHEMBL1465458 0.90 KCNH2 (0.38) KCNH2NOS1NOS2
SCHEMBL15329105 0.88 KDM4E (0.52) CCR1CCR8METAP2KDM4ELMNA
Hydrochloric Acid SCHEMBL28145952 0.88 KCNH2 (0.36) KCNH2NOS1NOS2
SCHEMBL25015292 0.85 GABRA1 (0.33) TRPV3LMNA
SCHEMBL17696699 0.84
SCHEMBL1466621 0.82 KCNH2 (0.33) KCNH2
SCHEMBL1467560 0.82 KCNH2 (0.33) KCNH2
SCHEMBL1465789 0.82 KCNH2 (0.33) KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9463451-B2 Ligand, metal complex containing ligand, and reaction using metal complex containing ligand NATIONAL UNIVERSITY CORPORATION NAGOYA UNIVERSITY (JP) 2016-10-11 US disclosed
US-9463451-B2 Ligand, metal complex containing ligand, and reaction using metal complex containing ligand NATIONAL UNIVERSITY CORPORATION NAGOYA UNIVERSITY (JP) 2016-10-11 US disclosed
US-20160107151-A1 LIGAND, METAL COMPLEX CONTAINING LIGAND, AND REACTION USING METAL COMPLEX CONTAINING LIGAND NATIONAL UNIVERSITY CORPORATION NAGOYA UNIVERSITY (JP) 2016-04-21 US disclosed
US-20160107151-A1 LIGAND, METAL COMPLEX CONTAINING LIGAND, AND REACTION USING METAL COMPLEX CONTAINING LIGAND NATIONAL UNIVERSITY CORPORATION NAGOYA UNIVERSITY (JP) 2016-04-21 US disclosed
EP-2966081-A1 LIGAND, METAL COMPLEX CONTAINING LIGAND, AND REACTION USING METAL COMPLEX CONTAINING LIGAND National University Corporation Nagoya University (JP) 2016-01-13 EP 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-20160107151-A1 LIGAND, METAL COMPLEX CONTAINING LIGAND, AND REACTION USING METAL COMPLEX CONTAINING LIGAND HRH3, HRH2, HRH4 CCR1 621/4885CCR8 1289/4885TRPV3 1713/4885

“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.