SCHEMBL6959381

SCHEMBL6959381

COc1c(C(C)(C)C)cc(CBr)cc1C(C)(C)C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHFR P00374 1/20 0.45
PTGS2 P35354 4/20 0.42
LMNA P02545 2/20 0.38
HPGD P15428 2/20 0.38
TP53 P04637 1/20 0.38
CYP3A4 P08684 1/20 0.38
ALOX15 P16050 1/20 0.38
PTGS1 P23219 1/20 0.38
ALDH1A1 P00352 3/20 0.38
TSHR P16473 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
HTR2A P28223 2/20 0.37
TNFRSF1A P19438 2/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
KCNH2 Q12809 1/20 0.35
HTR2C P28335 1/20 0.34
HTR2B P41595 1/20 0.34
GAA P10253 1/20 0.33
KDM4E B2RXH2 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
SCHEMBL13900816 0.81 PTGS2 (0.54) DHFRPTGS2LMNAHPGDTP53
SCHEMBL18476024 0.79 MAPT (0.47) DHFRPTGS2LMNAHPGDTP53
SCHEMBL9158374 0.79 DHFR (0.49) DHFRPTGS2LMNAHPGDTP53
SCHEMBL7968048 0.79 ALDH1A1 (0.43) LMNAHPGDTP53CYP3A4ALOX15
SCHEMBL29548140 0.78 DHFR (0.43) DHFRPTGS2TP53PTGS1ALDH1A1
SCHEMBL4730685 0.76 DHFR (0.43) DHFRPTGS2LMNAHPGDTP53
SCHEMBL6567279 0.76 DHFR (0.43) DHFRPTGS2LMNAHPGDTP53
SCHEMBL1304740 0.76 PTGS2 (0.50) DHFRPTGS2LMNAHPGDTP53
SCHEMBL8812831 0.75 NR1H4 (0.46) LMNAHPGDTP53CYP3A4ALOX15
SCHEMBL29548450 0.75 DHFR (0.49) DHFRPTGS2LMNAHPGDTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170038642-A1 ALIGNMENT LAYER AND LIQUID CRYSTAL DISPLAY INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2017-02-09 US disclosed
US-20170038642-A1 ALIGNMENT LAYER AND LIQUID CRYSTAL DISPLAY INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2017-02-09 US disclosed
US-20160185763-A1 LIQUID CRYSTAL STABILIZER, LIQUID CRYSTAL COMPOSITION INCLUDING THE SAME, AND LIQUID CRYSTAL DISPLAY INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2016-06-30 US disclosed
US-20160185763-A1 LIQUID CRYSTAL STABILIZER, LIQUID CRYSTAL COMPOSITION INCLUDING THE SAME, AND LIQUID CRYSTAL DISPLAY INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2016-06-30 US disclosed
EP-0848004-B1 PYRROLIDINE DERIVATIVES HAVING PHOSPHOLIPASE A2 INHIBITORY ACTIVITY SHIONOGI & CO (JP) 2003-04-02 EP disclosed
US-5955616-A PROSTAGLANDIN INHIBITORS SHIONOGI & CO., LTD. (JP) 1999-09-21 US disclosed
EP-0848004-A1 PYRROLIDINE DERIVATIVES HAVING PHOSPHOLIPASE A2 INHIBITORY ACTIVITY SHIONOGI & CO., LTD. (JP) 1998-06-17 EP disclosed
US-5747517-A ALZHEIMER'S DISEASE; PROTEASE INHIBITORS ELI LILLY AND COMPANY (US) 1998-05-05 US disclosed
EP-0677517-A1 Treatment of Alzheimer's disease employing inhibitors of cathepsin D ELI LILLY AND COMPANY (US) 1995-10-18 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 (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-20160185763-A1 LIQUID CRYSTAL STABILIZER, LIQUID CRYSTAL COMPOSITION INCLUDING THE SAME, AND LIQUID CRYSTAL DISPLAY INCLUDING THE SAME PYM1, YBX3, MLX DHFR 4220/4885PTGS2 4147/4885LMNA 538/4885

“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.