SCHEMBL21858428

SCHEMBL21858428

CC1(c2ccccc2CO)COC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.38
OPRD1 P41143 2/20 0.38
OPRK1 P41145 1/20 0.38
OPRL1 P41146 1/20 0.38
APOBEC3G Q9HC16 1/20 0.35
PDK2 Q15119 2/20 0.35
EPHX1 P07099 1/20 0.34
PDCD1 Q15116 1/20 0.34
CD274 Q9NZQ7 1/20 0.34
CYP4F2 P78329 2/20 0.33
CYP4A11 Q02928 2/20 0.33
HDAC4 P56524 1/20 0.32
HTR2A P28223 1/20 0.32
KCNH2 Q12809 1/20 0.31
LMNA P02545 1/20 0.31
GAA P10253 1/20 0.31
KMT2A Q03164 1/20 0.31
ALDH1A1 P00352 1/20 0.30
HPGD P15428 1/20 0.30
SLC6A2 P23975 1/20 0.30

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
SCHEMBL21858413 0.81 CYP2D6 (0.32) HTR2AKCNH2
SCHEMBL4964190 0.74 OPRM1 (0.38) OPRM1OPRD1OPRK1OPRL1APOBEC3G
SCHEMBL15525045 0.74 MEN1 (0.39) OPRM1OPRL1LMNAGAAKMT2A
SCHEMBL21616543 0.71 HTR2A (0.35) HTR2AKCNH2GAAALDH1A1
SCHEMBL12023243 0.68 OPRL1 (0.56) OPRL1HTR2AALDH1A1
SCHEMBL5866515 0.67 CYP2D6 (0.46) OPRM1OPRD1OPRK1OPRL1PDK2
SCHEMBL15525070 0.67 LMNA (0.43) LMNAGAAKMT2AALDH1A1HPGD
SCHEMBL22202749 0.66 HTR2A (0.35) PDK2HTR2A
SCHEMBL34467580 0.65 RARB (0.40) OPRM1OPRD1OPRK1OPRL1APOBEC3G
Methoxymethane SCHEMBL27638371 0.65 APOBEC3G (0.50) APOBEC3GPDCD1CD274CYP4F2CYP4A11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210378240-A1 OXETANYLPHENOXYQUINOLINES AND ANALOGUES BAYER AKTIENGESELLSCHAFT (DE) 2021-12-09 US disclosed
CN-112912374-A Oxocyclobutylphenoxyquinolines and analogs 拜耳公司 2021-06-04 CN disclosed
WO-2020079232-A1 OXETANYLPHENOXYQUINOLINES AND ANALOGUES BAYER AKTIENGESELLSCHAFT (DE) 2020-04-23 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-20210378240-A1 OXETANYLPHENOXYQUINOLINES AND ANALOGUES CBR3, CYP4X1, AOX1 OPRM1 3990/4885OPRD1 4376/4885OPRK1 4676/4885

“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.