SCHEMBL23258795

SCHEMBL23258795

O=c1ccc(C(CO)Cc2ccccc2)ccc1O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYR P14679 1/20 0.44
MMP2 P08253 1/20 0.42
DBH P09172 1/20 0.42
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
HSP90AA1 P07900 1/20 0.42
MAPT P10636 1/20 0.42
MAPK1 P28482 1/20 0.42
KMT2A Q03164 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
MTNR1A P48039 1/20 0.42
MTNR1B P49286 1/20 0.42
TRPA1 O75762 1/20 0.40
CYP1A2 P05177 1/20 0.38
ESR1 P03372 2/20 0.38
ESR2 Q92731 2/20 0.38
PRKCA P17252 2/20 0.37
PRKCD Q05655 2/20 0.37
ALDH1A1 P00352 1/20 0.37
EPHX1 P07099 1/20 0.37

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
SCHEMBL15288809 0.81 ESR1 (0.56) MEN1KMT2AMTNR1AMTNR1BTRPA1
SCHEMBL15288808 0.81 ESR1 (0.56) MEN1KMT2AMTNR1AMTNR1BTRPA1
SCHEMBL597894 0.80 MTNR1A (0.53) MTNR1AMTNR1BTRPA1CYP1A2ALDH1A1
SCHEMBL27754041 0.76 MEN1 (0.55) MEN1MAPTKMT2AMTNR1AMTNR1B
SCHEMBL23258690 0.74 PPARG (0.44)
SCHEMBL7683619 0.73 MTNR1A (0.42) MTNR1AMTNR1BTRPA1ESR1ESR2
SCHEMBL27564167 0.71 ESR1 (0.62) MEN1KMT2AMTNR1AMTNR1BCYP1A2
SCHEMBL4397438 0.71 ESR1 (0.68) MEN1KMT2ACYP1A2ESR1ESR2
SCHEMBL27338429 0.70 SLC6A2 (0.43) MEN1KMT2AMTNR1AMTNR1BTRPA1
SCHEMBL11861767 0.69 MEN1 (0.48) MEN1KMT2AMTNR1AMTNR1BCYP1A2

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
WO-2024073131-A2 METHOD OF TREATING NEURODEGENERATIVE DISEASES THE BOARD OF TRUSTEES OF THE UNIVESITY OF ILLINOIS (US) 2024-04-04 WO disclosed
US-20230406803-A1 TROPOLONE DERIVATIVES AND TAUTOMERS THEREOF FOR IRON REGULATION IN ANIMALS Kinesid Therapeutics, Inc (US) 2023-12-21 US disclosed
EP-4045477-A1 TROPOLONE DERIVATIVES AND TAUTOMERS THEREOF FOR IRON REGULATION IN ANIMALS Ambys Medicines, Inc. (US) 2022-08-24 EP disclosed
WO-2021076938-A1 TROPOLONE DERIVATIVES AND TAUTOMERS THEREOF FOR IRON REGULATION IN ANIMALS Ambys Medicines, Inc. (US) 2021-04-22 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-20230406803-A1 TROPOLONE DERIVATIVES AND TAUTOMERS THEREOF FOR IRON REGULATION IN ANIMALS TXNRD2, TFRC, SDHB TYR 699/4885MMP2 3444/4885DBH 277/4885

“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.