SCHEMBL223670

SCHEMBL223670

CCCCCc1ccc(Br)cc1F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYR P14679 3/20 0.47
TSHR P16473 2/20 0.47
MEN1 O00255 1/20 0.47
TP53 P04637 1/20 0.47
CYP3A4 P08684 1/20 0.47
ALOX5 P09917 1/20 0.47
MAPT P10636 1/20 0.47
ALOX15 P16050 1/20 0.47
HTT P42858 1/20 0.47
KMT2A Q03164 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
PYCR1 P32322 1/20 0.44
PDPK1 O15530 1/20 0.41
MTNR1B P49286 1/20 0.40
BCAT2 O15382 1/20 0.37
LIPG Q9Y5X9 1/20 0.37
CNR2 P34972 2/20 0.37
S1PR1 P21453 1/20 0.36
KDM1A O60341 1/20 0.36
HTR2A P28223 1/20 0.36

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
SCHEMBL13464625 0.98 TYR (0.50) TYRTSHRMEN1TP53CYP3A4
SCHEMBL9710376 0.98 TYR (0.50) TYRTSHRMEN1TP53CYP3A4
SCHEMBL30294101 0.98 TYR (0.50) TYRTSHRMEN1TP53CYP3A4
SCHEMBL13464690 0.98 TYR (0.50) TYRTSHRMEN1TP53CYP3A4
SCHEMBL6691430 0.94 TYR (0.47) TYRTSHRMEN1TP53CYP3A4
SCHEMBL5404668 0.86 PYCR1 (0.47) PYCR1PDPK1MTNR1BBCAT2KDM1A
SCHEMBL7781665 0.82 TYR (0.40) TYRTSHRMEN1TP53CYP3A4
SCHEMBL1310295 0.81 PDPK1 (0.41) PYCR1PDPK1MTNR1BKDM1A
Formaldehyde SCHEMBL27932210 0.81 PDPK1 (0.44) PYCR1PDPK1MTNR1BBCAT2KDM1A
SCHEMBL7781660 0.81 TYR (0.42) TYRTSHRMEN1TP53CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1618101-B1 BENZOCHROMENE DERIVATIVES MERCK PATENT GMBH (DE) 2017-12-20 EP disclosed
EP-1618101-B1 BENZOCHROMENE DERIVATIVES MERCK PATENT GMBH (DE) 2017-12-20 EP disclosed
CN-102015964-B Thiophene derivatives, and LC media containing the same MERCK PATENT GMBH 2013-07-17 CN disclosed
US-8486297-B2 Thiophene derivatives, and LC media comprising same MERCK PATENT GMBH (DE) 2013-07-16 US disclosed
US-8486297-B2 Thiophene derivatives, and LC media comprising same MERCK PATENT GMBH (DE) 2013-07-16 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-8394293-B2 Thiophene derivatives, and LC media containing same MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2013-03-12 US disclosed
EP-2398787-B1 Thiophene derivates and liquid crystal media comprising the same MERCK PATENT GMBH (DE) 2013-01-30 EP disclosed
EP-2265692-B1 THIOPHENE DERIVATIVES, AND LC MEDIA CONTAINING THE SAME MERCK PATENT GMBH (DE) 2012-07-04 EP disclosed
EP-2265692-B1 THIOPHENE DERIVATIVES, AND LC MEDIA CONTAINING THE SAME MERCK PATENT GMBH (DE) 2012-07-04 EP disclosed
EP-1618101-A2 BENZOCHROMENE DERIVATIVES MERCK PATENT GmbH (DE) 2006-01-25 EP disclosed
WO-2004076438-A2 BENZOCHROMENE DERIVATIVES MERCK PATENT GMBH (DE) 2004-09-10 WO disclosed
US-6737125-B2 SUCH AS 8,9-DIFLUORO-7-(4-PENTYLPHENYL)-2-PROPYL-2,3-DIHYDRO-1H -CYCLOPENTA(A)NAPHTHALENE; FOR USE IN AUTOMOBILE INTERIORS CLARIANT FINANCE (BVI) LIMITED (VG) 2004-05-18 US disclosed
US-20030108684-A1 Such as 8,9-difluoro-7-(4-pentylphenyl)-2-propyl-2,3-dihydro-1H -cyclopenta(a)naphthalene; for use in automobile interiors CLARIANT INTERNATIONAL LTD. 2003-06-12 US disclosed
EP-1144546-A3 FLUORINATED TERPHENYLS QinetiQ Limited (GB) 2002-08-28 EP disclosed
EP-1144546-A2 FLUORINATED TERPHENYLS QinetiQ Limited (GB) 2001-10-17 EP disclosed
WO-2000004111-A2 FLUORINATED TERPHENYLS THE SECRETARY OF STATE FOR DEFENCE (GB) 2000-01-27 WO disclosed
US-5637257-A LIQUID CRYSTAL DISPLAYING MERCK PATENT GESELLSCHAFT MLT BESCHRANKTER HAFTUNG (DE) 1997-06-10 US disclosed
US-5482653-A FOR LIQUID CRYSTAL DISPLAY MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1996-01-09 US disclosed
WO-1990015113-A1 FLUORO-CHLORO-BENZENE DERIVATIVES MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1990-12-13 WO 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-20030108684-A1 Such as 8,9-difluoro-7-(4-pentylphenyl)-2-propyl-2,3-dihydro-1H -cyclopenta(a)naphthalene; for use in automobile interiors SCO2, CYP2F1, OGFOD1 TYR 3555/4885TSHR 4358/4885MEN1 1985/4885

“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.