SCHEMBL3053018

SCHEMBL3053018

CCCOc1ccccc1CCN

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.61
HRH1 P35367 1/20 0.53
MAPT P10636 2/20 0.49
HPGD P15428 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
KDM4E B2RXH2 2/20 0.48
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
HTR2C P28335 1/20 0.45
HTR2B P41595 1/20 0.45
CSNK1A1 P48729 1/20 0.45
CSNK1D P48730 1/20 0.45
PRKCD Q05655 1/20 0.45
PAK1 Q13153 1/20 0.45
CAMK2B Q13554 1/20 0.45
CAMK2G Q13555 1/20 0.45
CAMK2D Q13557 1/20 0.45

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
SCHEMBL2911351 0.91 TAAR1 (0.59) TAAR1HRH1MAPTHPGDSMN1; SMN2
SCHEMBL74512 0.86 PPARD (0.54) MAPTHPGDNPSR1L3MBTL1CYP1A2
SCHEMBL16731022 0.85 KDM4E (0.59) TAAR1HRH1MAPTHPGDSMN1; SMN2
SCHEMBL2911943 0.85 MAPT (0.52) MAPTHPGDSMN1; SMN2NPSR1L3MBTL1
SCHEMBL147184 0.85 TAAR1 (0.66) TAAR1HRH1MAPTNPSR1L3MBTL1
SCHEMBL73826 0.83 CYP1A2 (0.52) MAPTHPGDNPSR1L3MBTL1CYP1A2
SCHEMBL27449242 0.82 TAAR1 (0.62) TAAR1HRH1MAPTHPGDSMN1; SMN2
SCHEMBL7293667 0.81 MAPT (0.49) MAPTHPGDNPSR1L3MBTL1CYP1A2
SCHEMBL5661565 0.81 MAPT (0.49) MAPTHPGDNPSR1L3MBTL1CYP1A2
SCHEMBL7957917 0.81 TAAR1 (0.56) TAAR1HRH1MAPTHPGDSMN1; 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 TAAR1 4519/4885HRH1 3560/4885MAPT 2198/4885

“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.