SCHEMBL26326723

SCHEMBL26326723

CC(C)(C)[Si](C)(C)OCCCc1cccc2ccccc12

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
NQO2 P16083 1/20 0.39
CYP1A2 P05177 2/20 0.39
CYP2C19 P33261 2/20 0.39
CYP2D6 P10635 1/20 0.39
GPR84 Q9NQS5 1/20 0.39
MCL1 Q07820 1/20 0.39
BCHE P06276 1/20 0.38
CDYL Q9Y232 1/20 0.38
CYP2C9 P11712 1/20 0.38
MTNR1A P48039 1/20 0.38
DUT P33316 1/20 0.37

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
SCHEMBL30923337 0.79 DUT (0.35) DUT
SCHEMBL12634902 0.79 TAAR1 (0.41) DUT
SCHEMBL9566221 0.79 TAAR1 (0.41) DUT
SCHEMBL15054017 0.79 MPO (0.41) AKR1B1DUT
SCHEMBL30667522 0.79 TAAR1 (0.41) DUT
SCHEMBL8536947 0.79 TAAR1 (0.41) DUT
SCHEMBL8069572 0.79 DUT (0.39) SIGMAR1CYP1A2CYP2C19CYP2C9DUT
SCHEMBL1244866 0.79 TAAR1 (0.42) DUT
SCHEMBL31530974 0.79 DUT (0.32) DUT
SCHEMBL15902673 0.78 SLC6A4 (0.40) MCL1BCHEDUT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230271988-A1 METHOD FOR PRODUCING ORGANOMETALLIC NUCLEOPHILE AND REACTION METHOD USING ORGANOMETALLIC NUCLEOPHILE NATIONAL UNIVERSITY CORPORATION HOKKAIDO UNIVERSITY (JP) 2023-08-31 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 (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-20230271988-A1 METHOD FOR PRODUCING ORGANOMETALLIC NUCLEOPHILE AND REACTION METHOD USING ORGANOMETALLIC NUCLEOPHILE HPD, TALDO1, OGG1 AKR1B1 1777/4885SIGMAR1 3254/4885NQO2 730/4885

“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.