SCHEMBL9288562

SCHEMBL9288562

Brc1ccc2c(c1)CC1(C2)OCCO1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.41
TDP2 O95551 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.37
PNMT P11086 2/20 0.36
ASIC3 Q9UHC3 1/20 0.36
AVPR1A P37288 1/20 0.36
CMA1 P23946 1/20 0.35
AHR P35869 1/20 0.35
METAP1 P53582 1/20 0.34
PKM P14618 2/20 0.34
PARP10 Q53GL7 2/20 0.33
PARP11 Q9NR21 1/20 0.33
ADRA2A P08913 1/20 0.33
ADRA2B P18089 1/20 0.33
ADRA2C P18825 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33
BLM P54132 1/20 0.33
PARP1 P09874 1/20 0.33

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
SCHEMBL3990720 0.85 APP (0.40) APPTDP2SMN1; SMN2PNMTASIC3
SCHEMBL6652414 0.85 APP (0.40) APPTDP2SMN1; SMN2PNMTASIC3
SCHEMBL18926266 0.84 APP (0.45) APPTDP2SMN1; SMN2PNMTASIC3
SCHEMBL29500687 0.78 AHR (0.46) TDP2CMA1AHRPKMPARP10
SCHEMBL21061577 0.78 AHR (0.46) TDP2CMA1AHRPKMPARP10
SCHEMBL1758994 0.77 LMNA (0.40) APPTDP2SMN1; SMN2AHRLMNA
SCHEMBL3707907 0.76 CA9 (0.38) APPTDP2SMN1; SMN2LMNAMAPT
SCHEMBL22567805 0.74 TDP2 (0.40) APPTDP2PNMTASIC3CMA1
SCHEMBL24275671 0.74 TDP2 (0.41) APPTDP2PNMTASIC3CMA1
SCHEMBL1979578 0.73 POLB (0.37) TDP2SMN1; SMN2AVPR1ALMNAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9598639-B2 Liquid-crystal compound, liquid-crystal composition and liquid-crystal display device DAXIN MATERIALS CORPORATION (TW) 2017-03-21 US disclosed
US-9598639-B2 Liquid-crystal compound, liquid-crystal composition and liquid-crystal display device DAXIN MATERIALS CORPORATION (TW) 2017-03-21 US disclosed
US-20160024384-A1 LIQUID-CRYSTAL COMPOUND, LIQUID-CRYSTAL COMPOSITION AND LIQUID-CRYSTAL DISPLAY DEVICE DAXIN MATERIALS CORPORATION (TW) 2016-01-28 US disclosed
US-20160024384-A1 LIQUID-CRYSTAL COMPOUND, LIQUID-CRYSTAL COMPOSITION AND LIQUID-CRYSTAL DISPLAY DEVICE DAXIN MATERIALS CORPORATION (TW) 2016-01-28 US disclosed
US-8388861-B2 Liquid crystal compound and liquid crystal mixture JIANGSU HECHENG DISPLAY TECHNOLOGY CO., LTD. (CN) 2013-03-05 US disclosed
US-8388861-B2 Liquid crystal compound and liquid crystal mixture JIANGSU HECHENG DISPLAY TECHNOLOGY CO., LTD. (CN) 2013-03-05 US disclosed
US-20120132854-A1 LIQUID CRYSTAL COMPOUND AND LIQUID CRYSTAL MIXTURE JIANGSU HECHENG CHEMICAL MATERIALS CO., LTD. (CN) 2012-05-31 US disclosed
US-20120132854-A1 LIQUID CRYSTAL COMPOUND AND LIQUID CRYSTAL MIXTURE JIANGSU HECHENG CHEMICAL MATERIALS CO., LTD. (CN) 2012-05-31 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-20120132854-A1 LIQUID CRYSTAL COMPOUND AND LIQUID CRYSTAL MIXTURE CPNE4, LEO1, NCAPD3 APP 1519/4885TDP2 4503/4885SMN1; SMN2 3304/4885

“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.