SCHEMBL5804209

SCHEMBL5804209

O=[C]C(Br)=Cc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 3/20 0.48
AKR1C3 P42330 1/20 0.48
MCL1 Q07820 1/20 0.46
ALDH1A1 P00352 2/20 0.43
TSHR P16473 1/20 0.43
AKR1C1 Q04828 1/20 0.42
HTT P42858 1/20 0.40
CYP2A6 P11509 1/20 0.39
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
PRMT1 Q99873 1/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
POLB P06746 1/20 0.38
PKM P14618 1/20 0.38
MAPT P10636 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ESR1 P03372 1/20 0.38
PLIN1 O60240 1/20 0.38
LMNA P02545 1/20 0.38

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
SCHEMBL5804207 1.00 FBP1 (0.48) FBP1AKR1C3MCL1ALDH1A1TSHR
SCHEMBL9015118 0.79 MCL1 (0.52) FBP1AKR1C3MCL1ALDH1A1TSHR
SCHEMBL2000510 0.79 MCL1 (0.52) FBP1AKR1C3MCL1ALDH1A1TSHR
SCHEMBL143642 0.77 ALDH1A1 (0.54) FBP1AKR1C3MCL1ALDH1A1TSHR
SCHEMBL143643 0.77 ALDH1A1 (0.54) FBP1AKR1C3MCL1ALDH1A1TSHR
SCHEMBL4788817 0.76 ALDH1A1 (0.46) FBP1AKR1C3MCL1ALDH1A1TSHR
SCHEMBL197670 0.76 ALDH1A1 (0.46) FBP1AKR1C3MCL1ALDH1A1TSHR
SCHEMBL5386095 0.74 MAPT (0.58) AKR1C3MCL1ALDH1A1TSHRCYP3A4
SCHEMBL5386096 0.74 MAPT (0.58) AKR1C3MCL1ALDH1A1TSHRCYP3A4
SCHEMBL4788053 0.73 ALDH1A1 (0.43) FBP1AKR1C3MCL1ALDH1A1TSHR

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
CN-114790185-B Coumarin oxime ester compound or pharmaceutically acceptable salt thereof, and preparation method and application thereof 五邑大学 2023-09-19 CN disclosed
CN-114790185-A Coumarin oxime ester compound or pharmaceutically acceptable salt thereof, and preparation method and application thereof 五邑大学 2022-07-26 CN disclosed
US-20140128380-A1 METHODS OF MODULATING THE ACTIVITY OF THE MC1 RECEPTOR AND TREATMENT OF CONDITIONS RELATED TO THIS RECEPTOR MIMETICA PTY LTD (AU) 2014-05-08 US disclosed
WO-2006093518-A2 THIENYL COMPOUNDS FOR TREATING VIRUS-RELATED CONDITIONS APATH, LLC (US) 2006-09-08 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-20140128380-A1 METHODS OF MODULATING THE ACTIVITY OF THE MC1 RECEPTOR AND TREATMENT OF CONDITIONS RELATED TO THIS RECEPTOR MC1R, MC5R, MC3R FBP1 781/4885AKR1C3 876/4885MCL1 388/4885

“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.