SCHEMBL4816617

SCHEMBL4816617

COc1cc(Br)ccc1O[Si](C)(C)C(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.45
TSHR P16473 2/20 0.40
KDM4E B2RXH2 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
GLA P06280 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
ALPL P05186 1/20 0.39
GAA P10253 2/20 0.39
MGAM O43451 1/20 0.39
SI P14410 1/20 0.39
MGAM2 Q2M2H8 1/20 0.39
POLB P06746 1/20 0.38
EDNRB P24530 2/20 0.38
EDNRA P25101 2/20 0.38
AMY1A P0DUB6 1/20 0.38
APP P05067 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
SCHEMBL941194 0.93 DRD2 (0.40) DRD2TSHRKDM4ETDP1GLA
SCHEMBL13640332 0.82 CA12 (0.59) DRD2GAA
SCHEMBL4621189 0.81 APLNR (0.39) DRD2TDP1SMN1; SMN2GAAPOLB
SCHEMBL2447571 0.81 DRD2 (0.44) DRD2KDM4ESMN1; SMN2NPC1RAB9A
SCHEMBL2076161 0.81 KDM4E (0.49) DRD2TSHRKDM4ESMN1; SMN2GAA
SCHEMBL17337274 0.81 DRD2 (0.44) DRD2TSHRKDM4ESMN1; SMN2ALPL
SCHEMBL3116398 0.81 DRD2 (0.47) DRD2KDM4ESMN1; SMN2NPC1RAB9A
SCHEMBL6049222 0.81 MAOB (0.48) DRD2KDM4ETDP1NPC1RAB9A
SCHEMBL15085977 0.80 APLNR (0.45) TDP1NPC1ALPL
SCHEMBL2287094 0.80 RAB9A (0.43) DRD2TSHRKDM4ETDP1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117304033-A Caffeic acid derivative and preparation method thereof, pharmaceutical composition and application 中国医学科学院药物研究所 2023-12-29 CN disclosed
CN-111777501-B Caffeic acid phenethyl ester derivatives, preparation method thereof, pharmaceutical compositions thereof and application thereof 中国医学科学院药物研究所 2022-09-16 CN disclosed
CN-111777501-A Caffeic acid phenethyl ester derivatives, preparation method thereof, pharmaceutical compositions thereof and application thereof 中国医学科学院药物研究所 2020-10-16 CN disclosed
US-7470723-B2 Diphenylethylene compounds and uses thereof CELGENE CORPORATION (US) 2008-12-30 US disclosed
US-20080114061-A1 Diphenylethylene compounds and uses thereof CELGENE CORPORATION 2008-05-15 US disclosed
US-7312241-B2 Diphenylethylene compounds and uses thereof CELGENE CORPORATION (US) 2007-12-25 US disclosed
CN-101053558-A Diphenylethylene compounds and uses thereof CELGENE CORP (US) 2007-10-17 CN disclosed
EP-1799634-A2 DIPHENYLETHYLENE COMPOUNDS AND USES THEREOF CELGENE CORPORATION (US) 2007-06-27 EP disclosed
EP-1603864-A4 DIPHENYLETHYLENE COMPOUNDS AND USES THEREOF CELGENE CORP (US) 2007-04-11 EP disclosed
WO-2006026747-A2 DIPHENYLETHYLENE COMPOUNDS AND USES THEREOF CELGENE CORPORATION (US) 2006-03-09 WO disclosed
EP-1603864-A2 DIPHENYLETHYLENE COMPOUNDS AND USES THEREOF CELGENE CORPORATION (US) 2005-12-14 EP disclosed
US-20050107339-A1 Diphenylethylene compounds and uses thereof CELGENE CORPORATION 2005-05-19 US disclosed
US-20050014727-A1 Diphenylethylene compounds and uses thereof CELGENE CORPORATION 2005-01-20 US disclosed
WO-2004078144-A2 DIPHENYLETHYLENE COMPOUNDS AND USES THEREOF CELGENE CORPORATION (US) 2004-09-16 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 (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-20050107339-A1 Diphenylethylene compounds and uses thereof VHL, TNF, PTGES DRD2 2647/4885TSHR 4476/4885KDM4E 384/4885
US-20080114061-A1 Diphenylethylene compounds and uses thereof VHL, TNF, PTGES DRD2 2647/4885TSHR 4476/4885KDM4E 384/4885
US-20050014727-A1 Diphenylethylene compounds and uses thereof VHL, TNF, PTGES DRD2 2647/4885TSHR 4476/4885KDM4E 384/4885

“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.