SCHEMBL18092829

SCHEMBL18092829

CCC1(CCc2ccccc2)CCCCC1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.41
OPRM1 P35372 3/20 0.41
OPRL1 P41146 2/20 0.41
SIGMAR1 Q99720 1/20 0.39
CRHBP P24387 1/20 0.38
CRHR2 Q13324 1/20 0.38
GAA P10253 1/20 0.38
OPRD1 P41143 1/20 0.38
KDM1A O60341 1/20 0.38
MAOA P21397 1/20 0.38
MAOB P27338 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
SCHEMBL9013328 0.83 OPRM1 (0.42) ALDH1A1OPRM1OPRL1SIGMAR1
SCHEMBL9013676 0.83 SIGMAR1 (0.44) OPRM1OPRL1SIGMAR1
SCHEMBL9013280 0.82 KCNH2 (0.43) OPRM1OPRL1SIGMAR1
SCHEMBL9013618 0.82 KCNH2 (0.43) OPRM1OPRL1SIGMAR1
SCHEMBL9013715 0.82 KCNH2 (0.43) OPRM1OPRL1SIGMAR1
SCHEMBL9013460 0.82 KCNH2 (0.43) OPRM1OPRL1SIGMAR1
SCHEMBL25401977 0.81 DPP4 (0.44) ALDH1A1SIGMAR1KDM1AMAOAMAOB
SCHEMBL13545892 0.81 ALDH1A1 (0.55) ALDH1A1OPRM1OPRL1CRHBPCRHR2
SCHEMBL18114517 0.81 MAOA (0.45) ALDH1A1OPRM1OPRL1GAAMAOA
SCHEMBL16029497 0.79 MAOA (0.47) ALDH1A1OPRM1OPRL1GAAMAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113387916-A Urolithin PDE2 inhibitor compound and preparation method thereof 常州大学 2021-09-14 CN claimed
EP-3274318-B1 PRODUCTION OF BIPHENYL COMPOUNDS EXXONMOBIL CHEMICAL PATENTS INC (US) 2020-02-26 EP claimed
EP-3274318-A1 PRODUCTION OF BIPHENYL COMPOUNDS ExxonMobil Chemical Patents Inc. (US) 2018-01-31 EP claimed
US-20160280616-A1 Production of Biphenyl Compounds EXXONMOBIL CHEMICAL PATENTS INC. 2016-09-29 US claimed
WO-2016153575-A1 PRODUCTION OF BIPHENYL COMPOUNDS EXXONMOBIL CHEMICAL PATENTS INC. (US) 2016-09-29 WO claimed

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-20160280616-A1 Production of Biphenyl Compounds AHR, ARNT, CYP1B1 ALDH1A1 474/4885OPRM1 2260/4885OPRL1 1621/4885

“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.