SCHEMBL17488404

SCHEMBL17488404

Cc1ccc(-c2ccc(OCc3ccccc3)c(Br)c2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
MAPT P10636 6/20 0.47
L3MBTL1 Q9Y468 5/20 0.47
TDP1 Q9NUW8 4/20 0.47
MAPK1 P28482 1/20 0.47
MRGPRX4 Q96LA9 1/20 0.47
HTR7 P34969 1/20 0.45
HTR6 P50406 1/20 0.45
F2 P00734 1/20 0.45
HPGD P15428 4/20 0.44
NPC1 O15118 2/20 0.44
KDM4E B2RXH2 2/20 0.44
TLR9 Q9NR96 1/20 0.44
MAOB P27338 1/20 0.44
PTPN1 P18031 1/20 0.43
MCL1 Q07820 1/20 0.43
ALDH1A1 P00352 2/20 0.43
LMNA P02545 2/20 0.43
CCR5 P51681 1/20 0.43

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
SCHEMBL322220 0.91 RAB9A (0.56) RAB9ASMN1; SMN2MAPTL3MBTL1TDP1
SCHEMBL19398436 0.88 F2 (0.49) RAB9ASMN1; SMN2MAPTL3MBTL1TDP1
SCHEMBL1855654 0.87 MAPT (0.56) RAB9ASMN1; SMN2MAPTL3MBTL1TDP1
SCHEMBL24244911 0.86 GSTP1 (0.54) RAB9ASMN1; SMN2MAPTL3MBTL1MAOB
SCHEMBL10093047 0.82 ERN1 (0.55) MAPTL3MBTL1TDP1MAPK1MRGPRX4
SCHEMBL1994146 0.80 RAB9A (0.52) RAB9ASMN1; SMN2MAPTL3MBTL1TDP1
SCHEMBL8440333 0.79 SMN1; SMN2 (0.51) RAB9ASMN1; SMN2MAPTF2NPC1
SCHEMBL1756349 0.78 ABCC4 (0.58) RAB9ASMN1; SMN2MRGPRX4PTPN1LMNA
SCHEMBL17488403 0.78 GSTP1 (0.56) MAPK1MAOBMCL1LMNACYP1A2
Toluene SCHEMBL27793177 0.78 L3MBTL1 (0.50) RAB9ASMN1; SMN2MAPTL3MBTL1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 2420/4885MAPT 34/4885

“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.