SCHEMBL3060728

SCHEMBL3060728

CCCOc1ccc(CCN(C)C)cc1

nearest known ligand 0.79

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 6/20 0.79
KEAP1 Q14145 1/20 0.56
NFE2L2 Q16236 1/20 0.56
KCNH2 Q12809 2/20 0.56
LMNA P02545 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
KDM4E B2RXH2 2/20 0.55
ALDH1A1 P00352 2/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
LTA4H P09960 1/20 0.53
TAAR1 Q96RJ0 2/20 0.50

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
SCHEMBL3055382 0.93 HRH3 (0.83) HRH3KEAP1NFE2L2KCNH2KDM4E
SCHEMBL4547156 0.85 HRH3 (0.79) HRH3KEAP1NFE2L2KCNH2KDM4E
SCHEMBL3052357 0.85 HRH3 (0.72) HRH3KEAP1NFE2L2KCNH2KDM4E
SCHEMBL14922323 0.84 HRH3 (0.66) HRH3KEAP1NFE2L2KCNH2KDM4E
SCHEMBL928390 0.84 HRH3 (0.77) HRH3KEAP1NFE2L2KCNH2KDM4E
SCHEMBL12844521 0.84 HRH3 (0.80) HRH3KEAP1NFE2L2KCNH2KDM4E
Hydrochloric Acid SCHEMBL9735260 0.82 HRH3 (0.72) HRH3KEAP1NFE2L2LMNAKDM4E
SCHEMBL874146 0.82 HRH3 (0.74) HRH3KEAP1NFE2L2KCNH2LMNA
SCHEMBL10662153 0.82 HRH3 (0.77) HRH3KEAP1NFE2L2KCNH2KDM4E
SCHEMBL5156655 0.82 LMNA (0.65) HRH3LMNAL3MBTL1ALDH1A1SMN1; SMN2

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
CN-101939326-B Method for producing cycloplatinized platinum complexes, platinum complexes produced by said method, and the use thereof RWTH AACHEN UNIVERSITY 2013-06-05 CN disclosed
US-8394979-B2 Process for preparing cycloplatinated platinum complexes, platinum complexes prepared by this process and the use thereof RHEINISCHE-WESTFALISCHE TECHNISCHE HOCHSCHULE AACHEN (DE) 2013-03-12 US disclosed
CN-101939326-A Method for producing cycloplatinized platinum complexes, platinum complexes produced by said method, and the use thereof RWTH AACHEN 2011-01-05 CN disclosed
US-20100267977-A1 METHOD FOR PRODUCING CYCLOPLATINIZED PLATINUM COMPLEXES, PLATINUM COMPLEXES PRODUCED BY SAID METHOD, AND THE USE THEREOF RHEINISCHE-WESTFALISCHE TECHNISCHE HOCHSCHULE AACHEN (DE) 2010-10-21 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-20100267977-A1 METHOD FOR PRODUCING CYCLOPLATINIZED PLATINUM COMPLEXES, PLATINUM COMPLEXES PRODUCED BY SAID METHOD, AND THE USE THEREOF THPO, MCL1, PPOX HRH3 3145/4885KEAP1 997/4885NFE2L2 1833/4885

“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.