SCHEMBL20449129

SCHEMBL20449129

CC(C)(C)[Si](C)(C)OC1CCOc2cc(Br)ccc21

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 3/20 0.47
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
HTT P42858 1/20 0.36
BLM P54132 1/20 0.36
KDM4C Q9H3R0 1/20 0.36
MAP3K14 Q99558 1/20 0.33
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA9 Q16790 1/20 0.30
PPARA Q07869 1/20 0.30
APLNR P35414 2/20 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
SCHEMBL20449128 1.00 ADRA2A (0.47) ADRA2ALMNAMAPTHTTBLM
SCHEMBL22473503 0.85 ADRA2A (0.40) ADRA2AMAPTKDM4CMAP3K14
SCHEMBL31372083 0.83 HTR1A (0.42) MAPT
SCHEMBL13614278 0.81 PDCD1 (0.34) KDM4CMAP3K14
SCHEMBL13614280 0.81 ALDH1A1 (0.37) ADRA2AMAP3K14
SCHEMBL4152363 0.80 SSTR4 (0.38) ADRA2ALMNAHTTMAP3K14
SCHEMBL20528379 0.79 KDM1A (0.32) ADRA2A
SCHEMBL20528378 0.79 KDM1A (0.32) ADRA2A
SCHEMBL20449102 0.79 SCN9A (0.34) MAP3K14
SCHEMBL20449103 0.79 SCN9A (0.34) MAP3K14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210171516-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2021-06-10 US disclosed
US-10787446-B2 Therapeutic compounds and methods of use thereof GENENTECH, INC. (US) 2020-09-29 US disclosed
US-20180291014-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2018-10-11 US disclosed
EP-3356360-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF Genentech, Inc. (US) 2018-08-08 EP 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 (3 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-20180291014-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF AVPR1B, C3AR1, RHEB ADRA2A 150/4885LMNA 941/4885MAPT 3326/4885
US-10787446-B2 Therapeutic compounds and methods of use thereof AVPR1B, C3AR1, RHEB ADRA2A 150/4885LMNA 941/4885MAPT 3326/4885
US-20210171516-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF AVPR1B, C3AR1, RHEB ADRA2A 150/4885LMNA 941/4885MAPT 3326/4885

“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.