SCHEMBL2551597

SCHEMBL2551597

CCCCCCCc1cc(C)ccn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.48
KDM4E B2RXH2 4/20 0.48
HPGD P15428 1/20 0.48
NOS2 P35228 2/20 0.43
UHRF1 Q96T88 1/20 0.42
CCR1 P32246 1/20 0.42
CCR5 P51681 1/20 0.42
CCR8 P51685 1/20 0.42
LMNA P02545 1/20 0.41
CYP3A4 P08684 1/20 0.41
TSHR P16473 1/20 0.41
HTR1A P08908 2/20 0.41
ADRA1D P25100 2/20 0.41
ADRA1A P35348 2/20 0.41
ADRA1B P35368 2/20 0.41
MEN1 O00255 1/20 0.39
NOS3 P29474 1/20 0.39
NOS1 P29475 1/20 0.39
KMT2A Q03164 1/20 0.39
SREBF2 Q12772 1/20 0.38

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
SCHEMBL28183218 1.00 KCNH2 (0.48) KCNH2KDM4EHPGDNOS2UHRF1
SCHEMBL2547957 1.00 KCNH2 (0.48) KCNH2KDM4EHPGDNOS2UHRF1
SCHEMBL28142250 1.00 KCNH2 (0.48) KCNH2KDM4EHPGDNOS2UHRF1
SCHEMBL27655489 1.00 KCNH2 (0.48) KCNH2KDM4EHPGDNOS2UHRF1
SCHEMBL27876575 1.00 KCNH2 (0.48) KCNH2KDM4EHPGDNOS2UHRF1
SCHEMBL28142976 1.00 KCNH2 (0.48) KCNH2KDM4EHPGDNOS2UHRF1
SCHEMBL28878273 1.00 KCNH2 (0.48) KCNH2KDM4EHPGDNOS2UHRF1
Hydrochloric Acid SCHEMBL27700551 0.98 KCNH2 (0.47) KCNH2KDM4EHPGDNOS2UHRF1
SCHEMBL29473921 0.98 KDM4E (0.47) KCNH2KDM4EHPGDNOS2UHRF1
SCHEMBL921653 0.98 KDM4E (0.47) KCNH2KDM4EHPGDNOS2UHRF1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108018067-A The double solvents and method of aromatic hydrocarbons and alkane in a kind of extracting separation diesel oil distillate 中国石油化工股份有限公司 2018-05-11 CN disclosed
CN-108003915-A The double solvents and method of aromatic hydrocarbons and alkane in a kind of extracting separation diesel oil distillate 中国石油化工股份有限公司 2018-05-08 CN disclosed
CN-107954874-A A kind of method for preparing benzoic ether 中国石油化工股份有限公司 2018-04-24 CN disclosed
US-8652452-B2 2,4-disubstituted pyridines as perfuming ingredients FIRMENICH SA (CH) 2014-02-18 US disclosed
EP-2552395-B1 2,4-disubstituted pyridines as perfuming ingredients FIRMENICH & CIE (CH) 2013-11-13 EP disclosed
EP-2552395-A1 2,4-DISUBSTITUTED PYRIDINES AS PERFUMING INGREDIENTS Firmenich S.A. (CH) 2013-02-06 EP disclosed
US-20130004447-A1 2,4-DISUBSTITUTED PYRIDINES AS PERFUMING INGREDIENTS FIRMENICH SA (CH) 2013-01-03 US disclosed
CN-102802600-A 2, 4-disubstituted pyridines as perfuming ingredients FIRMENICH & CIE 2012-11-28 CN disclosed
WO-2011121469-A1 2,4-DISUBSTITUTED PYRIDINES AS PERFUMING INGREDIENTS FIRMENICH SA (CH) 2011-10-06 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-20130004447-A1 2,4-DISUBSTITUTED PYRIDINES AS PERFUMING INGREDIENTS P2RX5, P2RX4, C5 KCNH2 184/4885KDM4E 2458/4885HPGD 244/4885

“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.