SCHEMBL22763935

SCHEMBL22763935

CC1(C)OCc2cc(C(=O)CN3C(=O)CCC3=O)ccc2O1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
TSHR P16473 4/20 0.40
CBX7 O95931 2/20 0.38
CDYL2 Q8N8U2 2/20 0.38
CDYL Q9Y232 2/20 0.38
CDY1; CDY1B Q9Y6F8 2/20 0.38
ALDH1A1 P00352 4/20 0.38
HPGD P15428 4/20 0.38
NPSR1 Q6W5P4 1/20 0.38
MAPK1 P28482 3/20 0.38
TP53 P04637 1/20 0.38
HTT P42858 1/20 0.38
NPC1 O15118 2/20 0.37
HSD17B10 Q99714 1/20 0.37
CRHBP P24387 1/20 0.36
CRHR2 Q13324 1/20 0.36
USP2 O75604 1/20 0.35
KDM4E B2RXH2 2/20 0.35
GAA P10253 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
SCHEMBL22763956 0.84 RAB9A (0.49) RAB9ASMN1; SMN2TSHRCBX7CDYL2
SCHEMBL14357334 0.81 ATM (0.50) RAB9ASMN1; SMN2TSHRALDH1A1HPGD
SCHEMBL27636279 0.80 ATM (0.36) SMN1; SMN2TSHRALDH1A1HPGDKDM4E
SCHEMBL829418 0.80 GNG2 (0.40) ALDH1A1HPGD
SCHEMBL30563103 0.80 GNG2 (0.40) ALDH1A1HPGD
SCHEMBL960318 0.78 MAPT (0.46) RAB9ATSHRALDH1A1HPGDNPC1
SCHEMBL21886542 0.78 CTNNB1 (0.42) TSHRHPGD
SCHEMBL14898029 0.76 RXRA (0.50) RAB9ATSHRALDH1A1MAPK1KDM4E
SCHEMBL925100 0.76 KMT2A (0.36) RAB9ASMN1; SMN2TSHRALDH1A1HPGD
SCHEMBL22763936 0.75 TSHR (0.34) TSHRALDH1A1MAPK1GAA

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-11053227-B2 Process for preparing intermediates for the synthesis of optically active beta-amino alcohols by enzymatic reduction and novel synthesis intermediates OLON S.P.A. (IT) 2021-07-06 US disclosed
US-20200385366-A1 PROCESS FOR PREPARING INTERMEDIATES FOR THE SYNTHESIS OF OPTICALLY ACTIVE BETA-AMINO ALCOHOLS BY ENZYMATIC REDUCTION AND NOVEL SYNTHESIS INTERMEDIATES OLON S.P.A. (IT) 2020-12-10 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 (2 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-20200385366-A1 PROCESS FOR PREPARING INTERMEDIATES FOR THE SYNTHESIS OF OPTICALLY ACTIVE BETA-AMINO ALCOHOLS BY ENZYMATIC REDUCTION AND NOVEL SYNTHESIS INTERMEDIATES ADH1A, ADH1C, ADH5 RAB9A 3913/4885SMN1; SMN2 3396/4885TSHR 3858/4885
US-11053227-B2 Process for preparing intermediates for the synthesis of optically active beta-amino alcohols by enzymatic reduction and novel synthesis intermediates ADH1A, ADH1C, ADH5 RAB9A 3913/4885SMN1; SMN2 3396/4885TSHR 3858/4885

“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.