SCHEMBL23375799

SCHEMBL23375799

CC1=C(C(=O)O)[C@]1(C)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 1/20 0.44
MMP9 P14780 1/20 0.44
HCAR2 Q8TDS4 3/20 0.40
HCAR3 P49019 2/20 0.40
CYP1A2 P05177 1/20 0.40
CCR2 P41597 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
ALDH1A1 P00352 3/20 0.36
GAA P10253 2/20 0.36
LMNA P02545 1/20 0.36
PAX8 Q06710 1/20 0.36
MCL1 Q07820 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
HTT P42858 1/20 0.36
TSHR P16473 2/20 0.36
DAO P14920 1/20 0.36
NAPRT Q6XQN6 1/20 0.36
ALOX15 P16050 1/20 0.36
AKR1C1 Q04828 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
SCHEMBL23375801 1.00 MMP2 (0.44) MMP2MMP9HCAR2HCAR3CYP1A2
Bicarbonate SCHEMBL12806752 0.70 MMP2 (0.47) MMP2MMP9HCAR2HCAR3CYP1A2
SCHEMBL8996032 0.64 TPMT (0.31) ALDH1A1
SCHEMBL11787137 0.62 MMP2 (0.48) MMP2MMP9ALDH1A1GAALMNA
SCHEMBL2984464 0.62 MMP2 (0.48) MMP2MMP9HCAR2HCAR3CYP1A2
SCHEMBL3284760 0.62 MMP2 (0.54) MMP2MMP9CYP1A2MEN1KMT2A
SCHEMBL29794093 0.62 MMP2 (0.54) MMP2MMP9MEN1KMT2AALDH1A1
Acetic Acid SCHEMBL7971198 0.61 OPRM1 (0.48) CCR2MEN1KMT2ATSHRALOX15
SCHEMBL13996192 0.61 FFAR3 (0.32)
Toluene SCHEMBL1850918 0.59 LMNA (0.65) MEN1KMT2AALDH1A1LMNATSHR

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210147343-A1 OPIOID RECEPTOR MODULATORS AND PRODUCTS AND METHODS RELATED THERETO EPIODYNE, INC. 2021-05-20 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-20210147343-A1 OPIOID RECEPTOR MODULATORS AND PRODUCTS AND METHODS RELATED THERETO OPRM1, OPRD1, OPRK1 MMP2 4327/4885MMP9 4606/4885HCAR2 295/4885

“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.