SCHEMBL18154598

SCHEMBL18154598

CCOC(=O)Cc1cc(=O)oc2cc(OCCCCCCBr)ccc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.55
KDM4E B2RXH2 7/20 0.55
HPGD P15428 5/20 0.55
LCK P06239 1/20 0.50
HSD17B10 Q99714 2/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
KMT2A Q03164 5/20 0.48
MEN1 O00255 3/20 0.48
PKM P14618 2/20 0.48
POLB P06746 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
HDAC1 Q13547 1/20 0.48
MAPT P10636 3/20 0.47
GAA P10253 2/20 0.47
LMNA P02545 1/20 0.47
TSHR P16473 1/20 0.47
GLA P06280 1/20 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
SCHEMBL29423665 1.00 ALDH1A1 (0.55) ALDH1A1KDM4EHPGDLCKHSD17B10
SCHEMBL17403186 0.80 KDM4E (0.76) ALDH1A1KDM4EHPGDLCKHSD17B10
SCHEMBL18154594 0.80 MAOB (0.70) ALDH1A1KDM4EHPGDHSD17B10KMT2A
SCHEMBL6592913 0.78 MAOB (0.71) ALDH1A1KDM4EHPGDHSD17B10KMT2A
SCHEMBL4209634 0.77 KDM4E (0.76) ALDH1A1KDM4EHPGDLCKHSD17B10
SCHEMBL15702989 0.77 MAOB (0.58) ALDH1A1KDM4EHPGDHSD17B10KMT2A
SCHEMBL15963945 0.77 KDM4E (0.69) ALDH1A1KDM4EHPGDLCKHSD17B10
SCHEMBL4206653 0.76 MAOB (0.68) MAOAMAOB
SCHEMBL15963909 0.76 KDM4E (0.56) ALDH1A1KDM4EHPGDLCKHSD17B10
SCHEMBL28026514 0.75 MAOB (0.70) ALDH1A1KDM4EHPGDHSD17B10KMT2A

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 5 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-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 ALDH1A1 244/4885KDM4E 3253/4885HPGD 1166/4885
US-10030002-B2 Coumarin derivative for detection of cysteine and process for the synthesis thereof ALDH7A1, LANCL1, CPA1 ALDH1A1 162/4885KDM4E 3333/4885HPGD 961/4885

“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.