SCHEMBL23964580

SCHEMBL23964580

CCCOCC(O)CNCc1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.50
ADRB2 P07550 1/20 0.48
ADRB1 P08588 1/20 0.48
ADRB3 P13945 1/20 0.48
DNM1 Q05193 1/20 0.48
TSHR P16473 1/20 0.47
BCHE P06276 1/20 0.46
ALDH1A1 P00352 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2D6 P10635 1/20 0.45
KDM4E B2RXH2 2/20 0.45
CASR P41180 1/20 0.45
LMNA P02545 1/20 0.45
S1PR2 O95136 1/20 0.44
S1PR4 O95977 1/20 0.44
S1PR1 P21453 1/20 0.44
S1PR3 Q99500 1/20 0.44

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
SCHEMBL25761328 0.93 CASR (0.49) MAPTADRB2ADRB1ADRB3DNM1
SCHEMBL9165211 0.90 S1PR2 (0.51) ADRB2ADRB1ADRB3DNM1TSHR
SCHEMBL12228656 0.89 DNM1 (0.49) ADRB2ADRB1ADRB3DNM1TSHR
SCHEMBL9165276 0.88 DNM1 (0.48) ADRB2ADRB1ADRB3DNM1TSHR
SCHEMBL17005472 0.85 MAPT (0.60) MAPTADRB2ADRB1ADRB3DNM1
SCHEMBL1327171 0.85 MAPT (0.60) MAPTADRB2ADRB1ADRB3DNM1
SCHEMBL2306548 0.85 MAPT (0.60) MAPTADRB2ADRB1ADRB3DNM1
SCHEMBL23386838 0.84 KDM4E (0.50) ADRB2ADRB1ADRB3DNM1TSHR
SCHEMBL17005403 0.84 CA1 (0.60) ADRB2ADRB1ADRB3DNM1TSHR
SCHEMBL24473808 0.84 CA1 (0.60) ADRB2ADRB1ADRB3DNM1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3936226-A2 CHROMATOGRAPHIC COLUMNS AND SEPARATION DEVICES COMPRISING A SUPERFICIALLY POROUS MATERIAL; AND USE THEREOF FOR SUPERCRITICAL FLUID CHROMATOGRAPHY AND OTHER CHROMATOGRAPHY Waters Technologies Corporation (US) 2022-01-12 EP disclosed
US-20210331138-A1 CHROMATOGRAPHIC MATERIALS WATERS TECHNOLOGIES CORPORATION (US) 2021-10-28 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-20210331138-A1 CHROMATOGRAPHIC MATERIALS HAX1, CXCR1, YBX1 MAPT 2565/4885ADRB2 1952/4885ADRB1 1231/4885

“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.