SCHEMBL23536227

SCHEMBL23536227

COc1cncc(C=O)c1OC

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.45
KDM4E B2RXH2 3/20 0.45
TSHR P16473 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
ERN1 O75460 9/20 0.42
PRKDC P78527 2/20 0.41
MAPT P10636 3/20 0.39
HSD17B10 Q99714 2/20 0.39
TLR2 O60603 1/20 0.39
TLR1 Q15399 1/20 0.39
TLR6 Q9Y2C9 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
LMNA P02545 2/20 0.37
CYP3A4 P08684 1/20 0.37
ALOX15 P16050 1/20 0.37
HPGD P15428 1/20 0.37
SRC P12931 1/20 0.37
TUBB1 Q9H4B7 1/20 0.36

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
SCHEMBL29935710 0.82 ALDH1A1 (0.47) ALDH1A1KDM4ETSHRTDP1ERN1
SCHEMBL29958129 0.80 CA1 (0.39) ALDH1A1KDM4ETSHRTDP1ERN1
SCHEMBL17378319 0.78 PRKDC (0.44) ALDH1A1KDM4ETSHRTDP1ERN1
SCHEMBL23143277 0.78 CA1 (0.38) ALDH1A1KDM4ETSHRTDP1ERN1
SCHEMBL21121078 0.78 ALDH1A1 (0.44) ALDH1A1KDM4ETSHRTDP1ERN1
SCHEMBL29955677 0.78 ALDH1A1 (0.44) ALDH1A1KDM4ETSHRTDP1ERN1
SCHEMBL4396043 0.78 ACHE (0.48) ALDH1A1KDM4EMAPTCYP3A4HPGD
SCHEMBL18807885 0.74 CA1 (0.39) ALDH1A1KDM4ETSHRTDP1ERN1
SCHEMBL747165 0.74 ERN1 (0.45) ALDH1A1KDM4ETSHRTDP1ERN1
SCHEMBL1052852 0.72 ERN1 (0.49) ALDH1A1KDM4ETSHRTDP1ERN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230104936-A1 TRPML MODULATORS CASMA THERAPEUTICS, INC. 2023-04-06 US disclosed
EP-4076423-A1 TRPML MODULATORS Casma Therapeutics, Inc. (US) 2022-10-26 EP disclosed
CN-115087440-A TRPML modulators 卡斯玛治疗公司 2022-09-20 CN disclosed
WO-2021127333-A1 TRPML MODULATORS CASMA THERAPEUTICS, INC. (US) 2021-06-24 WO disclosed
WO-2021127328-A1 TRPML MODULATORS CASMA THERAPEUTICS, INC. (US) 2021-06-24 WO disclosed
WO-2021127337-A1 TRPML MODULATORS CASMA THERAPEUTICS, INC. (US) 2021-06-24 WO disclosed
WO-2021127337-A1 TRPML MODULATORS CASMA THERAPEUTICS, INC. (US) 2021-06-24 WO disclosed
WO-2021127333-A1 TRPML MODULATORS CASMA THERAPEUTICS, INC. (US) 2021-06-24 WO disclosed
WO-2021127328-A1 TRPML MODULATORS CASMA THERAPEUTICS, INC. (US) 2021-06-24 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-20230104936-A1 TRPML MODULATORS TRPM2, TRPM4, TRPM5 ALDH1A1 3737/4885KDM4E 2480/4885TSHR 2030/4885

“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.