SCHEMBL22013858

SCHEMBL22013858

C[C@@]1(CCc2ccccc2)CO1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ALDH1A1 P00352 2/20 0.41
KDM1A O60341 2/20 0.41
MAOA P21397 2/20 0.41
MAOB P27338 2/20 0.41
OPRM1 P35372 2/20 0.40
OPRL1 P41146 2/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
HPGD P15428 1/20 0.39
ALOX15 P16050 1/20 0.39
ALOX12 P18054 1/20 0.39
CASP1 P29466 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TAAR1 Q96RJ0 2/20 0.39
SIGMAR1 Q99720 1/20 0.39
ATM Q13315 1/20 0.39

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
SCHEMBL7997821 1.00 GAA (0.41) GAAL3MBTL1ALDH1A1KDM1AMAOA
SCHEMBL11020900 0.82 MEN1 (0.40) ALDH1A1MAOAMAOBMEN1KMT2A
SCHEMBL8611324 0.82 HTR6 (0.53) L3MBTL1ALDH1A1MAOA
SCHEMBL21509221 0.80 TAAR1 (0.42) KDM1AOPRM1OPRL1TAAR1SIGMAR1
SCHEMBL11639984 0.80 TAAR1 (0.42) KDM1AMAOBTAAR1
SCHEMBL5065445 0.78 MAOA (0.45) GAAKDM1AMAOAMAOBOPRM1
SCHEMBL7269135 0.78 KDM1A (0.43) ALDH1A1KDM1AMAOAMAOBHPGD
SCHEMBL2525239 0.78 MAOA (0.45) GAAKDM1AMAOAMAOBOPRM1
SCHEMBL5062845 0.78 MAOA (0.45) GAAKDM1AMAOAMAOBOPRM1
SCHEMBL11280687 0.78 TAAR1 (0.58) TAAR1SIGMAR1

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
US-20210403445-A1 SYSTEMS AND METHODS FOR REGIOSELECTIVE CARBONYLATION OF 2,2-DISUBSTITUTED EPOXIDES CORNELL UNIVERSITY 2021-12-30 US disclosed
WO-2020102816-A1 SYSTEMS AND METHODS FOR REGIOSELECTIVE CARBONYLATION OF 2,2-DISUBSTITUTED EPOXIDES CORNELL UNIVERSITY (US) 2020-05-22 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-20210403445-A1 SYSTEMS AND METHODS FOR REGIOSELECTIVE CARBONYLATION OF 2,2-DISUBSTITUTED EPOXIDES LTC4S, LSS, CYCS GAA 2318/4885L3MBTL1 1369/4885ALDH1A1 416/4885

“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.