SCHEMBL17488405

SCHEMBL17488405

Brc1cc(I)ccc1OCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
APP P05067 5/20 0.49
PTPN1 P18031 1/20 0.47
FFAR1 O14842 1/20 0.46
KDM4E B2RXH2 1/20 0.45
HPGD P15428 1/20 0.45
TLR9 Q9NR96 1/20 0.45
MAOB P27338 1/20 0.45
MAPT P10636 1/20 0.44
MAPK1 P28482 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
FOLH1 Q04609 1/20 0.44

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
SCHEMBL20576395 0.86 APP (0.49) RAB9ASMN1; SMN2APPFFAR1MAOB
SCHEMBL11647126 0.84 APP (0.56) RAB9ASMN1; SMN2APPFFAR1KDM4E
SCHEMBL31375355 0.84 APP (0.56) RAB9ASMN1; SMN2APPFFAR1KDM4E
SCHEMBL7898169 0.82 RAB9A (0.59) RAB9ASMN1; SMN2PTPN1MAOBMAPK1
SCHEMBL30835101 0.82 RAB9A (0.59) RAB9ASMN1; SMN2PTPN1MAOBMAPK1
SCHEMBL28843836 0.82 FFAR1 (0.59) APPFFAR1MAPTMAPK1TDP1
SCHEMBL528926 0.81 RAB9A (0.61) RAB9ASMN1; SMN2PTPN1KDM4EHPGD
SCHEMBL7778474 0.81 MAOB (0.59) RAB9ASMN1; SMN2PTPN1MAOBMAPT
SCHEMBL8982918 0.81 RAB9A (0.57) RAB9ASMN1; SMN2PTPN1KDM4EHPGD
SCHEMBL1021663 0.80 CCR5 (0.48) RAB9AAPPFFAR1MAPTMAPK1

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
CN-112661681-A Polymerizable compound 默克专利股份有限公司 2021-04-16 CN disclosed
US-9938229-B2 Polymerisable compounds and the use thereof in liquid-crystal displays MERCK PATENT GMBH (DE) 2018-04-10 US disclosed
US-20160032189-A1 POLYMERISABLE COMPOUNDS AND THE USE THEREOF IN LIQUID-CRYSTAL DISPLAYS MERCK PATENT GMBH (DE) 2016-02-04 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-20160032189-A1 POLYMERISABLE COMPOUNDS AND THE USE THEREOF IN LIQUID-CRYSTAL DISPLAYS VCL, ILK, LCP1 RAB9A 579/4885SMN1; SMN2 2420/4885APP 1164/4885

“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.