SCHEMBL457253

SCHEMBL457253

CCCC=Cc1ccc(C)cc1C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 2/20 0.48
TLR8 Q9NR97 1/20 0.44
CYP1A1 P04798 1/20 0.38
CYP1B1 Q16678 1/20 0.38
AMY1A P0DUB6 1/20 0.38
MAPT P10636 3/20 0.37
TDP1 Q9NUW8 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
LMNA P02545 2/20 0.37
KDM4E B2RXH2 1/20 0.37
POLB P06746 1/20 0.37
HSP90AA1 P07900 1/20 0.37
ALOX12 P18054 1/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
RAB9A P51151 2/20 0.37
NPC1 O15118 1/20 0.37
ESR1 P03372 1/20 0.36
TP53 P04637 1/20 0.34

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
SCHEMBL7209879 0.85 PDE5A (0.48) PDE5ATLR8MAPTTDP1MEN1
SCHEMBL8819996 0.84 PDE5A (0.40) PDE5ACYP1A1CYP1B1AMY1AMAPT
SCHEMBL5837442 0.84 PDE5A (0.40) PDE5ACYP1A1CYP1B1AMY1AMAPT
SCHEMBL1609490 0.80 AMY1A (0.40) PDE5ACYP1A1CYP1B1AMY1AMAPT
SCHEMBL11323718 0.79 AMY1A (0.47) CYP1A1CYP1B1AMY1AMAPTTDP1
SCHEMBL6546420 0.79 AMY1A (0.47) CYP1A1CYP1B1AMY1AMAPTTDP1
SCHEMBL2096224 0.78 CYP1A1 (0.42) PDE5ACYP1A1CYP1B1AMY1AMAPT
SCHEMBL4632454 0.78 NPC1 (0.43) PDE5ACYP1A1CYP1B1AMY1AMAPT
SCHEMBL4632456 0.78 NPC1 (0.43) PDE5ACYP1A1CYP1B1AMY1AMAPT
SCHEMBL2096222 0.78 CYP1A1 (0.42) PDE5ACYP1A1CYP1B1AMY1AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1000950-B1 Novel indanylidene compounds HOFFMANN LA ROCHE (CH) 2004-02-25 EP claimed
US-6416746-B1 ULTRAVIOLET RAY AND LIGHT SCREENING MATERIAL GRAFTED TO SILANE, OLIGOSILOXANE, OR POLYSILOXANE WITH IMPROVED SOLUBILITY AND LITTLE PENETRATION; FOR USE IN COSMETICS ROCHE VITAMINS INC. 2002-07-09 US claimed
EP-1000950-A2 Novel indanylidene compounds F. HOFFMANN-LA ROCHE AG (CH) 2000-05-17 EP claimed
EP-3019142-B1 UV SCREENING COMPOSITION COMPRISING A UV FILTER, AN ORGANOPOLYSILOXANE FUNCTIONALIZED WITH A UV ABSORBER AND POROUS SILICA AND / OR POLYMETHYLMETHACRYLATE PARTICLES DSM IP ASSETS BV (NL) 2017-10-04 EP disclosed
US-20160143831-A1 UV SCREENING COMPOSITION COMPRISING A UV FILTER, AN ORGANOPOLYSILOXANE FUNCTIONALIZED WITH A UV ABSORBER AND POROUS SILICA AND/OR POLYMETHYLMETHACRYLATE PARTICLES DSM IP ASSETS B.V. (NL) 2016-05-26 US disclosed
EP-3019142-A1 UV SCREENING COMPOSITION COMPRISING A UV FILTER, AN ORGANOPOLYSILOXANE FUNCTIONALIZED WITH A UV ABSORBER AND POROUS SILICA AND/OR POLYMETHYLMETHACRYLATE PARTICLES DSM IP Assets B.V. (NL) 2016-05-18 EP disclosed
WO-2015003987-A1 UV SCREENING COMPOSITION COMPRISING A UV FILTER, AN ORGANOPOLYSILOXANE FUNCTIONALIZED WITH A UV ABSORBER AND POROUS SILICA AND/OR POLYMETHYLMETHACRYLATE PARTICLES DSM IP ASSETS B.V. (NL) 2015-01-15 WO disclosed
US-8492575-B2 Method for improving the color index of organopolysiloxanes DSM IP ASSETS B.V. (NL) 2013-07-23 US disclosed
US-8481775-B2 Method for improving the color index of organopolysiloxanes DSM IP ASSETS B.V. (NL) 2013-07-09 US disclosed
EP-2352778-B1 PROCESS DSM IP ASSETS BV (NL) 2013-02-27 EP disclosed
EP-2192142-B1 Novel process DSM IP ASSETS BV (NL) 2012-02-08 EP disclosed
EP-1494642-A1 ORGANOSILICONE DERIVATIVES OF AMINO HYDROXYBENZOPHENONES AND THEIR USE AS UV-A FILTERS IN COSMETIC PREPARATIONS DSM IP Assets B.V. (NL) 2005-01-12 EP disclosed
EP-1000950-B1 Novel indanylidene compounds HOFFMANN LA ROCHE (CH) 2004-02-25 EP disclosed
WO-2003086340-A1 ORGANOSILICONE DERIVATIVES OF AMINO HYDROXYBENZOPHENONES AND THEIR USE AS UV-A FILTERS IN COSMETIC PREPARATIONS DSM IP ASSETS B.V. (NL) 2003-10-23 WO disclosed
US-6573269-B1 Compounds for protecting surface of substrate from ultraviolet light ROCHE VITAMINS INC. 2003-06-03 US disclosed
US-6416746-B1 ULTRAVIOLET RAY AND LIGHT SCREENING MATERIAL GRAFTED TO SILANE, OLIGOSILOXANE, OR POLYSILOXANE WITH IMPROVED SOLUBILITY AND LITTLE PENETRATION; FOR USE IN COSMETICS ROCHE VITAMINS INC. 2002-07-09 US disclosed
EP-1081140-A2 Novel Pyrimidine-2,4,6-trione compounds F. HOFFMANN-LA ROCHE AG (CH) 2001-03-07 EP disclosed
EP-1000950-A2 Novel indanylidene compounds F. HOFFMANN-LA ROCHE AG (CH) 2000-05-17 EP disclosed
US-6018044-A TRIS((ALKYL, SILANE, OLIGOSILOXANE OR POLYSILOXANE)(OXY OR AMINO)CARBONYL-(1,4-PHENYLENE)-AMINO)-S-TRIAZINES HAVING AT LEAST ONE SILICON CONTAINING MOIETY OF GIVEN FORMULA; USE AS UV-B FILTERS IN LIGHT SCREENING COMPOSITIONS ROCHE VITAMINS INC. (US) 2000-01-25 US disclosed
EP-0933376-A2 Silanyl-triazines as light screening compositions F. HOFFMANN-LA ROCHE AG (CH) 1999-08-04 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-20160143831-A1 UV SCREENING COMPOSITION COMPRISING A UV FILTER, AN ORGANOPOLYSILOXANE FUNCTIONALIZED WITH A UV ABSORBER AND POROUS SILICA AND/OR POLYMETHYLMETHACRYLATE PARTICLES RAD50, SERPINB10, XRCC5 PDE5A 4430/4885TLR8 495/4885CYP1A1 1143/4885

“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.