SCHEMBL4268656

SCHEMBL4268656

O=CC1=C(Br)c2ccccc2CC1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CES1 P23141 1/20 0.47
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MAOB P27338 3/20 0.39
CYP2A6 P11509 1/20 0.38
MAOA P21397 1/20 0.38
ESR1 P03372 1/20 0.36
PDPK1 O15530 1/20 0.36
PARP1 P09874 1/20 0.36
PARP10 Q53GL7 1/20 0.36
PARP11 Q9NR21 1/20 0.36
SRD5A1 P18405 2/20 0.36
SRD5A2 P31213 1/20 0.36
CYP19A1 P11511 4/20 0.35
CYP11B2 P19099 3/20 0.35
CYP11B1 P15538 1/20 0.35
MIF P14174 4/20 0.35
PKM P14618 1/20 0.35
MAPK1 P28482 1/20 0.35

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
SCHEMBL29615759 1.00 CES1 (0.47) CES1TDP1L3MBTL1MAOBCYP2A6
SCHEMBL13936139 0.81 CES1 (0.42) CES1TDP1L3MBTL1MAOBCYP2A6
SCHEMBL30856147 0.78 TDP1 (0.49) TDP1L3MBTL1MAOBMAOAPARP1
SCHEMBL8885671 0.77 CES1 (0.47) CES1TDP1L3MBTL1MAOBCYP2A6
SCHEMBL2063760 0.77 ESR1 (0.54) CES1TDP1L3MBTL1MAOBCYP2A6
SCHEMBL29952458 0.77 ESR1 (0.54) CES1TDP1L3MBTL1MAOBCYP2A6
SCHEMBL4268093 0.76 MITF (0.48) CES1TDP1L3MBTL1MAOBSRD5A1
SCHEMBL3267426 0.75 F7 (0.42) TDP1L3MBTL1MAOBPARP1PARP10
SCHEMBL31620343 0.75 PARP1 (0.42) TDP1L3MBTL1PARP1PARP10SRD5A1
SCHEMBL3267757 0.75 PARP1 (0.42) TDP1L3MBTL1PARP1PARP10SRD5A1

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
WO-2022123336-A1 CHROMENO [4,3-B] QUINOLINE COMPOUNDS AND THEIR SYNTHESIS BY USING SILICOTUNGSTIC ACID [H4SIW12O40] HEGDE SUBRAMANYA GOPAL (IN) 2022-06-16 WO disclosed
CN-111440162-A Thiazole dihydronaphthalene derivative and application thereof in metabolic diseases 邱曲真 2020-07-24 CN disclosed
WO-2013041807-A1 NEW TRICYCLIC COMPOUNDS, PREPARATION METHOD AND USE THEREOF CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2013-03-28 WO disclosed
WO-2009110002-A1 NOVEL EFFLUX PUMP INHIBITORS COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2009-09-11 WO disclosed
US-20090036492-A1 Novel Cercosporamide Derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2009-02-05 US 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-20090036492-A1 Novel Cercosporamide Derivative GPR119, CBR3, SLC5A2 CES1 28/4885TDP1 4587/4885L3MBTL1 863/4885

“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.