SCHEMBL18154594

SCHEMBL18154594

Cc1cc(=O)oc2cc(OCCCCCCBr)ccc12

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 5/20 0.70
MAOA P21397 4/20 0.70
KDM4E B2RXH2 5/20 0.64
ALDH1A1 P00352 5/20 0.64
KMT2A Q03164 4/20 0.64
RAB9A P51151 3/20 0.64
MEN1 O00255 3/20 0.64
HPGD P15428 3/20 0.61
HSD17B10 Q99714 3/20 0.61
GLA P06280 2/20 0.61
GAA P10253 2/20 0.61
L3MBTL1 Q9Y468 2/20 0.61
TSHR P16473 1/20 0.61
ALDH2 P05091 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.61
MAPT P10636 2/20 0.61
AR P10275 2/20 0.60
NPC1 O15118 2/20 0.60
CASP3 P42574 2/20 0.60
SENP8 Q96LD8 2/20 0.60

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
SCHEMBL6592913 0.99 MAOB (0.71) MAOBMAOAKDM4EALDH1A1KMT2A
SCHEMBL28026514 0.95 MAOB (0.70) MAOBMAOAKDM4EALDH1A1KMT2A
SCHEMBL8187998 0.91 MAOB (0.68) MAOBMAOAKDM4EALDH1A1KMT2A
SCHEMBL11474761 0.88 MAOB (0.71) MAOBMAOAKDM4EALDH1A1KMT2A
SCHEMBL6874186 0.88 MAOB (0.71) MAOBMAOAKDM4EALDH1A1KMT2A
SCHEMBL18898659 0.86 MAOB (0.73) MAOBMAOAKDM4EALDH1A1KMT2A
SCHEMBL10063475 0.86 MAOB (0.74) MAOBMAOAKDM4EALDH1A1KMT2A
SCHEMBL18312160 0.84 MAOB (0.70) MAOBMAOAKDM4EALDH1A1KMT2A
SCHEMBL6591353 0.84 MAOB (0.70) MAOBMAOAKDM4EALDH1A1KMT2A
SCHEMBL12617399 0.84 MAOB (0.70) MAOBMAOAKDM4EALDH1A1KMT2A

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 MAOB 1866/4885MAOA 1960/4885KDM4E 3253/4885
US-10030002-B2 Coumarin derivative for detection of cysteine and process for the synthesis thereof ALDH7A1, LANCL1, CPA1 MAOB 1927/4885MAOA 1947/4885KDM4E 3333/4885

“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.