SCHEMBL805444

SCHEMBL805444

C=C(C)c1cc(O)cc(C(C)(C)C)c1O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 4/20 0.45
CA1 P00915 2/20 0.45
ALDH1A1 P00352 6/20 0.43
SMN1; SMN2 Q16637 5/20 0.43
TYR P14679 2/20 0.43
POLB P06746 1/20 0.43
ALOX15 P16050 4/20 0.41
CYP2C9 P11712 4/20 0.41
HTT P42858 3/20 0.41
LMNA P02545 3/20 0.41
NR1I2 O75469 1/20 0.41
MIF P14174 1/20 0.41
NFE2L2 Q16236 1/20 0.41
HSD17B10 Q99714 1/20 0.41
NPSR1 Q6W5P4 2/20 0.40
CYP1A2 P05177 3/20 0.39
CYP2C19 P33261 3/20 0.39
MAPT P10636 2/20 0.39
HPN P05981 1/20 0.39
SIRT5 Q9NXA8 1/20 0.39

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
SCHEMBL10458268 0.84 CA2 (0.61) CA2CA1ALDH1A1SMN1; SMN2TYR
SCHEMBL805430 0.82 NR5A2 (0.48) CA2CA1ALDH1A1SMN1; SMN2TYR
SCHEMBL12240426 0.82 CA2 (0.59) CA2CA1ALDH1A1SMN1; SMN2TYR
SCHEMBL2811722 0.82 CA2 (0.65) CA2CA1ALDH1A1SMN1; SMN2TYR
SCHEMBL12651295 0.82 SMN1; SMN2 (0.63) CA2CA1ALDH1A1SMN1; SMN2TYR
SCHEMBL13299510 0.81 CA2 (0.42) CA2CA1ALDH1A1SMN1; SMN2TYR
SCHEMBL13178842 0.81 CA2 (0.42) CA2CA1ALDH1A1SMN1; SMN2TYR
SCHEMBL12189382 0.80 BACE1 (0.37) ALDH1A1ALOX15LMNAGABRA1GABRB2
SCHEMBL6434030 0.79 HSPA5 (0.46) CA2CA1ALDH1A1SMN1; SMN2TYR
SCHEMBL11985297 0.78 CA2 (0.65) CA2CA1ALDH1A1SMN1; SMN2TYR

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 52 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8399073-B2 Liquid-crystal medium MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 2013-03-19 US disclosed
US-8394293-B2 Thiophene derivatives, and LC media containing same MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2013-03-12 US disclosed
US-20130056680-A1 LIQUID CRYSTALLINE MEDIUM AND LIQUID CRYSTAL DISPLAY MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2013-03-07 US disclosed
US-8349415-B2 Liquid-crystalline medium and liquid-crystal display having high twist MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 2013-01-08 US disclosed
US-20120326085-A1 LIQUID-CRYSTALLINE MEDIUM MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-12-27 US disclosed
US-20120326084-A1 LIQUID-CRYSTALLINE MEDIUM MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-12-27 US disclosed
US-20120307177-A1 LIQUID CRYSTAL DISPLAY AND LIQUID CRYSTALLINE MEDIUM MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-12-06 US disclosed
US-20120273723-A1 LIQUID CRYSTAL MEDIUM MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-11-01 US disclosed
US-20120268706-A1 COMPOUNDS AND LIQUID-CRYSTALLINE MEDIUM MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-10-25 US disclosed
US-20120248374-A1 LIQUID CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2012-10-04 US disclosed
US-7419706-B2 Liquid crystalline medium MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2008-09-02 US disclosed
US-20080199635-A1 LIQUID-CRYSTALLINE MEDIUM MERCK PATENT GESELLSCHAFT (DE) 2008-08-21 US disclosed
US-20080197319-A1 LIQUID-CRYSTALLINE MEDIUM MERCK PATENT GESELLSCHAFT (DE) 2008-08-21 US disclosed
US-20080193681-A1 Liquid-Crystal Medium MERCK PATENT GMBH (DE) 2008-08-14 US disclosed
US-7390538-B2 Liquid-crystal medium containing monofluoroterphenyl compounds MERCK PATENT GMBH (DE) 2008-06-24 US disclosed
US-7351453-B2 Mixture of polar compounds of biphenyls, cyclohexane and phenyl substituted biphenyl; fast response time, a low threshold voltage, low temperature stability MERCK PATENT GMBH (DE) 2008-04-01 US disclosed
US-20070080324-A1 mixture of polar compounds of negative dielectric anisotropy; electro-optical display with active-matrix addressing based on the ECB(electrically controlled birefringence), PALC (positive charge assisted leakage current) or IPS ( in plane switching) effect MERCK PATENT GMBH (DE) 2007-04-12 US disclosed
US-7189440-B2 Liquid-crystalline medium MERCK PATENT GMBH (DE) 2007-03-13 US disclosed
US-20070034829-A1 liquid crystalline medium comprises at least one strongly polar two-ring compound containing at least one fluorine group and two benezne rings; liquid-crystalline medium has a dielectric relaxation frequency of more than 200 kHz at a temperature of 0 degrees C.; use in active matrix displays MERCK PATENT GMBH (DE) 2007-02-15 US disclosed
US-20070034830-A1 Mixture of polar compounds containing cyclohexane and benzene rings some of which are vinylene-linked, especially containing fluoroalkoxy groups; for electrooptical twisted nematic monitor applications. MERCK PATENT GMBH (DE) 2007-02-15 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 (7 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-20120326084-A1 LIQUID-CRYSTALLINE MEDIUM NEFM, VIM, PLG CA2 4194/4885CA1 1832/4885ALDH1A1 948/4885
US-20120273723-A1 LIQUID CRYSTAL MEDIUM CHRM1, L1CAM, ZYX CA2 423/4885CA1 134/4885ALDH1A1 1107/4885
US-20120248374-A1 LIQUID CRYSTALLINE MEDIUM LBR, CTNND1, VIM CA2 1159/4885CA1 935/4885ALDH1A1 3596/4885
US-20120268706-A1 COMPOUNDS AND LIQUID-CRYSTALLINE MEDIUM NEFM, VIM, FLNB CA2 1948/4885CA1 998/4885ALDH1A1 3557/4885
US-20120326085-A1 LIQUID-CRYSTALLINE MEDIUM TLL1, LAS1L, LOXL1 CA2 359/4885CA1 138/4885ALDH1A1 1990/4885
US-20120307177-A1 LIQUID CRYSTAL DISPLAY AND LIQUID CRYSTALLINE MEDIUM CUTA, NEFM, FES CA2 4005/4885CA1 2201/4885ALDH1A1 2243/4885
US-20080199635-A1 LIQUID-CRYSTALLINE MEDIUM L1CAM, NEFM, CHRM1 CA2 1322/4885CA1 270/4885ALDH1A1 1743/4885

“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.