SCHEMBL5083289

SCHEMBL5083289

CCCCP(c1cc(C)cc(C)c1)c1cc(C)cc(C)c1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 1/20 0.34
CNR2 P34972 3/20 0.33
ALDH1A1 P00352 3/20 0.32
TSHR P16473 1/20 0.32
CNR1 P21554 2/20 0.31
TPMT P51580 1/20 0.31
TLR8 Q9NR97 1/20 0.31
MAPT P10636 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
HTT P42858 2/20 0.30
NPC1 O15118 1/20 0.30
HPGD P15428 1/20 0.30
MAPK1 P28482 1/20 0.30
RAB9A P51151 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30

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
Hydrochloric Acid SCHEMBL28443543 0.98 NOS2 (0.33) NOS2CNR2ALDH1A1TSHRCNR1
SCHEMBL28452832 0.93 CNR2 (0.36) NOS2CNR2ALDH1A1TSHRCNR1
Bromide SCHEMBL29193927 0.91 CNR2 (0.35) NOS2CNR2CNR1HTT
SCHEMBL2282469 0.87 ALDH1A1 (0.36) ALDH1A1TSHRTPMT
SCHEMBL2228016 0.87 ALDH1A1 (0.36) ALDH1A1TSHRTPMT
SCHEMBL6249871 0.85 ALDH1A1 (0.35) ALDH1A1TSHRTPMTMAPT
SCHEMBL2291663 0.85 ALDH1A1 (0.35) ALDH1A1TSHRTPMTMAPT
SCHEMBL21409639 0.85 ALDH1A1 (0.35) NOS2ALDH1A1TSHR
SCHEMBL6250251 0.85 ALDH1A1 (0.35) ALDH1A1TSHRTPMTMAPT
Hydrochloric Acid SCHEMBL29193780 0.83 ALDH1A1 (0.33) ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016076437-A1 COMPOSITION FOR KERATIN FIBERS L'OREAL (FR) 2016-05-19 WO disclosed
US-8791305-B2 Ligands and catalyst systems for hydroformylation processes UMICORE AG & CO. KG (DE) 2014-07-29 US disclosed
US-20140114090-A1 LIGANDS AND CATALYST SYSTEMS FOR HYDROFORMYLATION PROCESSES UMICORE AG & CO. KG (DE) 2014-04-24 US disclosed
US-8674142-B2 Naphthenic hydrocarbon additives for diaryl phosphide salt formation PMC ORGANOMETALLIX, INC. (US) 2014-03-18 US disclosed
US-8674142-B2 Naphthenic hydrocarbon additives for diaryl phosphide salt formation PMC ORGANOMETALLIX, INC. (US) 2014-03-18 US disclosed
WO-2012163837-A1 LIGANDS AND CATALYST SYSTEMS FOR HYDROFORMYLATION PROCESSES UMICORE AG & CO. KG (DE) 2012-12-06 WO disclosed
US-20100234642-A1 NAPHTHENIC HYDROCARBON ADDITIVES FOR DIARYL PHOSPHIDE SALT FORMATION ARKEMA INC. (US) 2010-09-16 US disclosed
US-20100234642-A1 NAPHTHENIC HYDROCARBON ADDITIVES FOR DIARYL PHOSPHIDE SALT FORMATION ARKEMA INC. (US) 2010-09-16 US disclosed
EP-2007703-A1 METAL COMPLEXES FOR USE IN THE CARBONYLATION OF ETHYLENICALLY UNSATURATED COMPOUNDS Lucite International UK Limited (GB) 2008-12-31 EP disclosed
WO-2007119079-A1 METAL COMPLEXES FOR USE IN THE CARBONYLATION OF ETHYLENICALLY UNSATURATED COMPOUNDS LUCITE INTERNATIONAL UK LIMITED (GB) 2007-10-25 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 (2 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-20140114090-A1 LIGANDS AND CATALYST SYSTEMS FOR HYDROFORMYLATION PROCESSES ADH5, HRH4, ADH1C NOS2 4422/4885CNR2 485/4885ALDH1A1 196/4885
US-20100234642-A1 NAPHTHENIC HYDROCARBON ADDITIVES FOR DIARYL PHOSPHIDE SALT FORMATION TST, TEC, NPM1 NOS2 3408/4885CNR2 3165/4885ALDH1A1 3603/4885

“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.