SCHEMBL18154601

SCHEMBL18154601

CCN(CC)c1ccc2cc(/C=C/c3ccc(C=O)cc3)c(=O)oc2c1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 11/20 0.77
KMT2A Q03164 11/20 0.77
MAPT P10636 11/20 0.77
KDM4E B2RXH2 9/20 0.77
ALDH1A1 P00352 9/20 0.77
HPGD P15428 5/20 0.77
NPSR1 Q6W5P4 4/20 0.77
CYP19A1 P11511 3/20 0.60
ATM Q13315 6/20 0.54
SMN1; SMN2 Q16637 6/20 0.54
USP2 O75604 4/20 0.54
MAOB P27338 3/20 0.54
HSD17B10 Q99714 3/20 0.54
CYP1A2 P05177 1/20 0.54
CYP2C19 P33261 1/20 0.54
SLC16A3 O15427 1/20 0.54
ALOX15 P16050 1/20 0.54
SLC16A1 P53985 1/20 0.54
L3MBTL1 Q9Y468 4/20 0.52
GLA P06280 1/20 0.52

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
SCHEMBL18154604 1.00 MEN1 (0.77) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL12893292 0.98 MEN1 (0.73) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL12893271 0.98 MEN1 (0.73) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL16518850 0.88 MAPT (0.66) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL31050005 0.88 MAPT (0.66) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL31050007 0.88 MAPT (0.66) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL29423659 0.88 KDM4E (0.57) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL30195208 0.87 MEN1 (1.00) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL61603 0.87 MEN1 (1.00) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL18154602 0.87 MAPT (0.61) MEN1KMT2AMAPTKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3283461-B1 NOVEL COUMARIN DERIVATIVE FOR DETECTION OF CYSTEINE AND PROCESS FOR THE SYNTHESIS THEREOF COUNCIL SCIENT IND RES (IN) 2022-03-30 EP disclosed
US-10030002-B2 Coumarin derivative for detection of cysteine and process for the synthesis thereof COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2018-07-24 US disclosed
US-10030002-B2 Coumarin derivative for detection of cysteine and process for the synthesis thereof COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2018-07-24 US disclosed
US-10030002-B2 Coumarin derivative for detection of cysteine and process for the synthesis thereof COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2018-07-24 US disclosed
US-20180093963-A1 NOVEL COUMARIN DERIVATIVE FOR DETECTION OF CYSTEINE AND PROCESS FOR THE SYNTHESIS THEREOF COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2018-04-05 US disclosed
US-20180093963-A1 NOVEL COUMARIN DERIVATIVE FOR DETECTION OF CYSTEINE AND PROCESS FOR THE SYNTHESIS THEREOF COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2018-04-05 US disclosed
US-20180093963-A1 NOVEL COUMARIN DERIVATIVE FOR DETECTION OF CYSTEINE AND PROCESS FOR THE SYNTHESIS THEREOF COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2018-04-05 US disclosed
EP-3283461-A1 NOVEL COUMARIN DERIVATIVE FOR DETECTION OF CYSTEINE AND PROCESS FOR THE SYNTHESIS THEREOF Council of Scientific and Industrial Research (IN) 2018-02-21 EP disclosed
WO-2016166773-A1 NOVEL COUMARIN DERIVATIVE FOR DETECTION OF CYSTEINE AND PROCESS FOR THE SYNTHESIS THEREOF COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2016-10-20 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 (2 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-20180093963-A1 NOVEL COUMARIN DERIVATIVE FOR DETECTION OF CYSTEINE AND PROCESS FOR THE SYNTHESIS THEREOF ALDH7A1, LANCL1, CPB1 MEN1 4540/4885KMT2A 4412/4885MAPT 4795/4885
US-10030002-B2 Coumarin derivative for detection of cysteine and process for the synthesis thereof ALDH7A1, LANCL1, CPA1 MEN1 4608/4885KMT2A 4487/4885MAPT 4707/4885

“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.