SCHEMBL2909676

SCHEMBL2909676

CCCOc1ccccc1CCNC

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 3/20 0.55
L3MBTL1 Q9Y468 2/20 0.54
TP53 P04637 1/20 0.54
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2C9 P11712 1/20 0.54
TSHR P16473 1/20 0.54
LMNA P02545 1/20 0.53
TAAR1 Q96RJ0 3/20 0.49
HTR1B P28222 2/20 0.46
HTR1D P28221 1/20 0.46
MAPT P10636 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
SLC6A4 P31645 2/20 0.45
PPARD Q03181 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
SCHEMBL2910225 0.92 HRH1 (0.58) HRH1L3MBTL1TP53CYP1A2CYP3A4
SCHEMBL12377075 0.90 HRH1 (0.60) HRH1L3MBTL1TP53CYP1A2CYP3A4
SCHEMBL3057074 0.86 L3MBTL1 (0.53) HRH1L3MBTL1TP53CYP1A2CYP3A4
SCHEMBL7645845 0.85 HRH1 (0.54) HRH1L3MBTL1TP53CYP1A2CYP3A4
SCHEMBL74512 0.83 PPARD (0.54) L3MBTL1CYP1A2CYP2C9MAPTNPSR1
SCHEMBL7648488 0.83 HRH1 (0.56) HRH1L3MBTL1TP53CYP1A2CYP3A4
SCHEMBL15118585 0.82 MCL1 (0.57) HRH1L3MBTL1TP53CYP1A2CYP3A4
SCHEMBL73826 0.80 CYP1A2 (0.52) L3MBTL1CYP1A2CYP2C9MAPTNPSR1
SCHEMBL21243277 0.79 CYP1A2 (0.51) HRH1L3MBTL1TP53CYP1A2CYP3A4
SCHEMBL3053018 0.79 TAAR1 (0.61) HRH1L3MBTL1TP53CYP1A2CYP2C9

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
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
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
EP-2220100-A2 CHIRAL CYCLOPLATINIZED COMPLEXES, METHOD FOR THE PRODUCTION THEREOF AND THEIR USE IN MEDICINE AND CATALYSTS Rheinisch-Westfälisch-Technische Hochschule Aachen (DE) 2010-08-25 EP disclosed
WO-2009077462-A2 CHIRAL CYCLOPLATINIZED COMPLEXES, METHOD FOR THE PRODUCTION THEREOF AND THEIR USE IN MEDICINE AND CATALYSTS Rheinisch-Westfälische Technische Hochschule Aachen (DE) 2009-06-25 WO 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 HRH1 3560/4885L3MBTL1 2473/4885TP53 239/4885

“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.