SCHEMBL2910225

SCHEMBL2910225

CCCCOc1ccccc1CCNC

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 3/20 0.58
CYP1A2 P05177 2/20 0.56
CYP2C9 P11712 2/20 0.56
L3MBTL1 Q9Y468 2/20 0.56
TP53 P04637 1/20 0.56
CYP3A4 P08684 1/20 0.56
TSHR P16473 1/20 0.56
LMNA P02545 1/20 0.55
TAAR1 Q96RJ0 3/20 0.51
PPARD Q03181 1/20 0.50
CYP2C19 P33261 1/20 0.50
CSNK1A1 P48729 1/20 0.48
CSNK1D P48730 1/20 0.48
PRKCD Q05655 1/20 0.48
PAK1 Q13153 1/20 0.48
CAMK2B Q13554 1/20 0.48
CAMK2G Q13555 1/20 0.48
CAMK2D Q13557 1/20 0.48
TAOK1 Q7L7X3 1/20 0.48
SLC6A4 P31645 2/20 0.47

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
SCHEMBL2909676 0.92 HRH1 (0.55) HRH1CYP1A2CYP2C9L3MBTL1TP53
SCHEMBL21243277 0.88 CYP1A2 (0.51) HRH1CYP1A2CYP2C9L3MBTL1TP53
SCHEMBL12377075 0.85 HRH1 (0.60) HRH1CYP1A2CYP2C9L3MBTL1TP53
SCHEMBL7648488 0.85 HRH1 (0.56) HRH1CYP1A2CYP2C9L3MBTL1TP53
SCHEMBL3057074 0.84 L3MBTL1 (0.53) HRH1CYP1A2CYP2C9L3MBTL1TP53
SCHEMBL919038 0.84 CYP1A2 (0.58) CYP1A2CYP2C9L3MBTL1TSHRPPARD
SCHEMBL7999552 0.84 PPARD (0.60) CYP1A2CYP2C9L3MBTL1TSHRPPARD
SCHEMBL7645845 0.83 HRH1 (0.54) HRH1CYP1A2CYP2C9L3MBTL1TP53
SCHEMBL10092823 0.83 MCL1 (0.55) HRH1CYP1A2CYP2C9L3MBTL1TP53
SCHEMBL11344012 0.81 THRA (0.55) CYP1A2CYP2C9L3MBTL1CYP3A4LMNA

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 3560/4885CYP1A2 1281/4885CYP2C9 1233/4885

“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.