SCHEMBL14670941

SCHEMBL14670941

CCC(C)c1cc(C)ccn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
UHRF1 Q96T88 1/20 0.46
CCR1 P32246 1/20 0.46
CCR5 P51681 1/20 0.46
CCR8 P51685 1/20 0.46
KDM4E B2RXH2 4/20 0.43
KMT2A Q03164 3/20 0.43
NOS2 P35228 2/20 0.43
MEN1 O00255 2/20 0.43
NOS3 P29474 1/20 0.43
NOS1 P29475 1/20 0.43
HRH1 P35367 1/20 0.38
CXCR4 P61073 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
POLB P06746 2/20 0.38
ALDH1A1 P00352 1/20 0.38
CRHR1 P34998 1/20 0.37
PLAU P00749 1/20 0.36
FDPS P14324 1/20 0.35
MAPK1 P28482 1/20 0.34
CYP2A6 P11509 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
SCHEMBL13991779 1.00 UHRF1 (0.46) UHRF1CCR1CCR5CCR8KDM4E
SCHEMBL20342497 1.00 UHRF1 (0.46) UHRF1CCR1CCR5CCR8KDM4E
SCHEMBL18672385 0.86 UHRF1 (0.42) UHRF1CCR1CCR5CCR8KDM4E
SCHEMBL17828007 0.84 UHRF1 (0.43) UHRF1CCR1CCR5CCR8KDM4E
SCHEMBL17827971 0.84 UHRF1 (0.43) UHRF1CCR1CCR5CCR8KDM4E
SCHEMBL12299272 0.83 UHRF1 (0.46) UHRF1CCR1CCR5CCR8KDM4E
SCHEMBL5545976 0.81 UHRF1 (0.41) UHRF1CCR1CCR5CCR8KDM4E
SCHEMBL18879376 0.81 KDM4E (0.43) UHRF1CCR1CCR5CCR8KDM4E
SCHEMBL29453940 0.80 UHRF1 (0.52) UHRF1CCR1CCR5CCR8KDM4E
SCHEMBL179530 0.80 UHRF1 (0.52) UHRF1CCR1CCR5CCR8KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9997719-B2 Material for organic electroluminescence device and organic electroluminescence device IDEMITSU KOSAN CO., LTD. (JP) 2018-06-12 US disclosed
EP-3258512-A1 ORGANIC SEMICONDUCTOR ELEMENT AND METHOD FOR MANUFACTURING SAME, COMPOSITION FOR FORMING ORGANIC SEMICONDUCTOR FILM, AND METHOD FOR MANUFACTURING ORGANIC SEMICONDUCTOR FILM Fujifilm Corporation (JP) 2017-12-20 EP disclosed
EP-2773641-B1 BIARYL ETHER SULFONAMIDES AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC (CA) 2017-09-27 EP disclosed
US-20130029982-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INTELLIKINE, LLC (US) 2013-01-31 US disclosed
US-7462745-B2 Method for the production of 2,7-octadienyl derivatives OXENO OLEFINCHEMIE GMBH (DE) 2008-12-09 US disclosed
US-7332267-B2 Photothermographic material FUJIFILM CORPORATION (JP) 2008-02-19 US disclosed
US-20080021234-A1 Removing acetylenically and allenically unsaturated compounds from a 1,3-butadiene-containing hydrocarbon stream by extraction or selective hydrogenation; telomerizing the purified product by reaction with a nucleophile, particularly using a metal-carbene complex catalyst OXENO OLEFINCHEMIE GMBH (DE) 2008-01-24 US disclosed
US-7314706-B2 Photothermographic material and manufacturing method FUJIFILM CORPORATION (JP) 2008-01-01 US disclosed
US-20070072136-A1 Photothermographic material FUJI PHOTO FILM CO., LTD. 2007-03-29 US disclosed
US-7186501-B2 Photothermographic material containing particular hydrophilic polymer FUJIFILM CORPORATION (JP) 2007-03-06 US disclosed
US-20070015095-A1 Photothermographic material FUJI PHOTO FILM CO., LTD. 2007-01-18 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 (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-20130029982-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB UHRF1 3809/4885CCR1 2362/4885CCR5 2285/4885
US-20080021234-A1 Removing acetylenically and allenically unsaturated compounds from a 1,3-butadiene-containing hydrocarbon stream by extraction or selective hydrogenation; telomerizing the purified product by reaction with a nucleophile, particularly using a metal-carbene complex catalyst KAT8, KAT7, NAA15 UHRF1 3224/4885CCR1 1145/4885CCR5 1725/4885

“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.