SCHEMBL6534793

SCHEMBL6534793

CCCCCCCCCCOc1cnc(-c2ccc(O)cc2)nc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR5A1 Q13285 1/20 0.65
LTA4H P09960 2/20 0.57
RAB9A P51151 7/20 0.56
NPC1 O15118 6/20 0.56
SMN1; SMN2 Q16637 4/20 0.56
KDM4E B2RXH2 4/20 0.56
HSD17B10 Q99714 2/20 0.56
RARB P10826 4/20 0.50
MAPT P10636 3/20 0.50
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
STAT3 P40763 1/20 0.48
ATM Q13315 1/20 0.48
ALDH1A1 P00352 3/20 0.47
HPGD P15428 2/20 0.47
USP2 O75604 1/20 0.47
GAA P10253 1/20 0.47
TP53 P04637 1/20 0.46
TSHR P16473 1/20 0.46
ALDH2 P05091 1/20 0.45

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
SCHEMBL6976554 1.00 NR5A1 (0.65) NR5A1LTA4HRAB9ANPC1SMN1; SMN2
SCHEMBL6980107 1.00 NR5A1 (0.65) NR5A1LTA4HRAB9ANPC1SMN1; SMN2
SCHEMBL10346198 1.00 NR5A1 (0.65) NR5A1LTA4HRAB9ANPC1SMN1; SMN2
SCHEMBL8387949 1.00 NR5A1 (0.65) NR5A1LTA4HRAB9ANPC1SMN1; SMN2
SCHEMBL7061013 1.00 NR5A1 (0.65) NR5A1LTA4HRAB9ANPC1SMN1; SMN2
SCHEMBL7865004 0.98 NR5A1 (0.63) NR5A1LTA4HRAB9ANPC1SMN1; SMN2
SCHEMBL8436081 0.98 NR5A1 (0.63) NR5A1LTA4HRAB9ANPC1SMN1; SMN2
SCHEMBL7089844 0.98 NR5A1 (0.62) NR5A1LTA4HRAB9ANPC1SMN1; SMN2
SCHEMBL9228047 0.90 NR5A1 (0.69) NR5A1LTA4HRAB9ANPC1SMN1; SMN2
SCHEMBL6255603 0.90 NR5A1 (0.69) NR5A1LTA4HRAB9ANPC1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0549279-B1 Optically active pyrimidine compound, process for producing the same and liquid crystal composition containing the same SUMITOMO CHEMICAL CO (JP) 2000-03-29 EP claimed
US-5326871-A Optically active pyrimidine compound, process for producing the same and liquid crystal composition containing the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1994-07-05 US claimed
EP-0549279-A1 Optically active pyrimidine compound, process for producing the same and liquid crystal composition containing the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1993-06-30 EP claimed
JP-5247000-A None JP disclosed
JP-3264566-A None JP disclosed
US-7468198-B2 Liquid crystal compound, ferroelectric liquid crystal composition, and ferroelectric liquid crystal display DAI NIPPON PRINTING CO. LTD. (JP) 2008-12-23 US disclosed
US-20080230745-A1 LIQUID CRYSTAL COMPOUND, FERROELECTRIC LIQUID CRYSTAL COMPOSITION, AND FERROELECTRIC LIQUID CRYSTAL DISPLAY DAI NIPPON PRINTING CO., LTD. (JP) 2008-09-25 US disclosed
US-6783812-B2 USEFUL IN THE MANUFACTURE OF OPTICAL DEVICES; STABILITY DISPLAYTECH, INC. 2004-08-31 US disclosed
US-6737124-B2 ESPECIALLY DISILANES DISPLAYTECH, INC. 2004-05-18 US disclosed
US-20030003245-A1 Liquid crystal compounds having a silane tail with a perfluoroalkyl terminal portion CITIZEN FINETECH MIYOTA CO., LTD. (JP) 2003-01-02 US disclosed
US-20020130299-A1 Alkyl silane liquid crystal compounds CITIZEN FINEDEVICE CO., LTD. (JP) 2002-09-19 US disclosed
EP-0606090-A1 Mesomorphic compound, liquid crystal composition containing same, and liquid crystal device using same CANON KABUSHIKI KAISHA (JP) 1994-07-13 EP disclosed
US-5326871-A Optically active pyrimidine compound, process for producing the same and liquid crystal composition containing the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1994-07-05 US disclosed
EP-0582489-A1 Ferroelectric liquid crystal compounds with cyclohexenyl cores and compositions containing them DISPLAYTECH, INCORPORATED (US) 1994-02-09 EP disclosed
US-5271864-A Ferroelectric liquid crystal compounds with cyclohexenyl cores and compositions containing them DISPLAYTECH, INC. (US) 1993-12-21 US disclosed
JP-H05247000-A OPTICALLY ACTIVE PYRIMIDINE COMPOUND, ITS PRODUCTION AND LIQUID CRYSTAL COMPOSITION SUMITOMO CHEM CO LTD 1993-09-24 JP disclosed
EP-0549279-A1 Optically active pyrimidine compound, process for producing the same and liquid crystal composition containing the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1993-06-30 EP disclosed
JP-H03264566-A OPTICALLY ACTIVE ALCOHOLS AND PRODUCTION THEREOF SUMITOMO CHEM CO LTD 1991-11-25 JP disclosed
EP-0360622-A2 Novel optically active benzene derivatives, process for producing the same and liquid-crystalline composition containing said derivatives as liquid-crystalline compound and light switching elements SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1990-03-28 EP disclosed
EP-0225195-A1 Phenylpyrimidine-based compounds and liquid crystal composition containing the same AJINOMOTO CO., INC. (JP) 1987-06-10 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 (3 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-20030003245-A1 Liquid crystal compounds having a silane tail with a perfluoroalkyl terminal portion FFAR3, FFAR1, LPAR1 NR5A1 379/4885LTA4H 1475/4885RAB9A 1832/4885
US-20080230745-A1 LIQUID CRYSTAL COMPOUND, FERROELECTRIC LIQUID CRYSTAL COMPOSITION, AND FERROELECTRIC LIQUID CRYSTAL DISPLAY CXCR6, CXCR1, SFXN1 NR5A1 1173/4885LTA4H 1570/4885RAB9A 1534/4885
US-20020130299-A1 Alkyl silane liquid crystal compounds SMURF1, SMURF2, DSTN NR5A1 2749/4885LTA4H 1301/4885RAB9A 3181/4885

“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.