SCHEMBL20988409

SCHEMBL20988409

CCOC(=O)[C@]1(CC)Cc2ccccc2OC1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.42
ATM Q13315 2/20 0.40
OPRM1 P35372 5/20 0.39
OPRD1 P41143 3/20 0.39
OPRK1 P41145 3/20 0.39
SLC22A1 O15245 1/20 0.39
SLC6A4 P31645 1/20 0.39
ADRA1A P35348 1/20 0.39
KCNH2 Q12809 1/20 0.39
GLA P06280 2/20 0.38
ALDH1A1 P00352 2/20 0.38
MAPT P10636 1/20 0.38
PPARG P37231 1/20 0.38
GRM1 Q13255 1/20 0.38
BLM P54132 1/20 0.38
PMP22 Q01453 1/20 0.38
KDM4E B2RXH2 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38

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
SCHEMBL30106706 0.88 ATM (0.40) BRD4ATMOPRM1OPRD1OPRK1
SCHEMBL20980059 0.88 ATM (0.40) BRD4ATMOPRM1OPRD1OPRK1
SCHEMBL28799391 0.73 BRD4 (0.50) BRD4OPRM1OPRD1OPRK1SLC22A1
SCHEMBL30726842 0.72 BRD4 (0.49) BRD4OPRM1OPRD1OPRK1SLC22A1
SCHEMBL20980077 0.71 MEN1 (0.36) BRD4ATMALDH1A1PPARGMEN1
SCHEMBL20955895 0.70 HTR2A (0.33) ALDH1A1TSHRSMN1; SMN2MEN1KMT2A
SCHEMBL1984035 0.70 BRD4 (0.56) BRD4ATMOPRM1OPRD1OPRK1
SCHEMBL20955894 0.70 HTR2A (0.33) ALDH1A1TSHRSMN1; SMN2MEN1KMT2A
SCHEMBL14472946 0.70 BRD4 (0.39) BRD4OPRM1OPRD1OPRK1SLC22A1
SCHEMBL27188920 0.69 BRD4 (0.43) BRD4OPRM1OPRD1OPRK1SLC22A1

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-10358422-B2 Methods for enantioselective allylic alkylation of esters, lactones, and lactams with unactivated allylic alcohols CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2019-07-23 US disclosed
US-20190135754-A1 METHODS FOR ENANTIOSELECTIVE ALLYLIC ALKYLATION OF ESTERS, LACTONES, AND LACTAMS WITH UNACTIVATED ALLYLIC ALCOHOLS CALIFORNIA INSTITUTE OF TECHNOLOGY 2019-05-09 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-20190135754-A1 METHODS FOR ENANTIOSELECTIVE ALLYLIC ALKYLATION OF ESTERS, LACTONES, AND LACTAMS WITH UNACTIVATED ALLYLIC ALCOHOLS LSS, COASY, ADH1A BRD4 2276/4885ATM 3188/4885OPRM1 2201/4885
US-10358422-B2 Methods for enantioselective allylic alkylation of esters, lactones, and lactams with unactivated allylic alcohols LSS, COASY, ADH1A BRD4 2276/4885ATM 3188/4885OPRM1 2201/4885

“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.