SCHEMBL5358209

SCHEMBL5358209

CC(C)(C)c1ccc(-c2ccccc2Nc2ccc(-c3ccc(Nc4ccccc4-c4ccc(C(C)(C)C)cc4)cc3)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 4/20 0.44
ABCG2 Q9UNQ0 1/20 0.41
KCNK18 Q7Z418 1/20 0.41
AKR1C3 P42330 2/20 0.38
AKR1C2 P52895 2/20 0.38
CCR4 P51679 1/20 0.38
CHRM3 P20309 1/20 0.38
S1PR1 P21453 1/20 0.38
KDR P35968 3/20 0.38
BCHE P06276 1/20 0.38
CES1 P23141 1/20 0.38

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
SCHEMBL21226201 0.93 ABCG2 (0.48) ABCG2KCNK18AKR1C3AKR1C2KDR
SCHEMBL29407530 0.93 ABCG2 (0.48) ABCG2KCNK18AKR1C3AKR1C2KDR
SCHEMBL25450282 0.93 KCNK18 (0.44) ABCG2KCNK18AKR1C3AKR1C2CCR4
SCHEMBL29099907 0.92 ABCG2 (0.47) KIF11ABCG2KCNK18AKR1C3AKR1C2
SCHEMBL15449530 0.91 KIF11 (0.38) KIF11ABCG2KCNK18AKR1C3AKR1C2
SCHEMBL27181947 0.91 KCNK18 (0.40) KIF11ABCG2KCNK18AKR1C3AKR1C2
SCHEMBL7995293 0.89 KCNK18 (0.39) KIF11ABCG2KCNK18AKR1C3AKR1C2
SCHEMBL16428719 0.89 ABCG2 (0.40) KIF11ABCG2KCNK18AKR1C3AKR1C2
SCHEMBL1242289 0.84 TRPV1 (0.50) KIF11AKR1C3AKR1C2CHRM3
SCHEMBL31013596 0.84 HSD17B2 (0.44) KIF11ABCG2AKR1C3AKR1C2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7250519-B2 Method for the production of arylamines MERCK PATENT GMBH (DE) 2007-07-31 US disclosed
EP-1442007-B1 METHOD FOR THE PRODUCTION OF ARYLAMINES MERCK PATENT GMBH (DE) 2006-11-29 EP disclosed
US-20050054854-A1 Method for the production of arylamines MERCK PATENT GMBH (DE) 2005-03-10 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-20050054854-A1 Method for the production of arylamines DDT, PDS5A, KMO KIF11 3269/4885ABCG2 1877/4885KCNK18 1555/4885

“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.