SCHEMBL4618388

SCHEMBL4618388

OC1CCCCC1c1cc[c]cc1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AR P10275 3/20 0.43
SLC18A3 Q16572 9/20 0.40
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
CYP2D6 P10635 2/20 0.33
TSHR P16473 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
SIGMAR1 Q99720 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
ALDH1A1 P00352 1/20 0.32
APEX1 P27695 1/20 0.32
BLM P54132 1/20 0.32
FABP7 O15540 2/20 0.30
FABP3 P05413 2/20 0.30
FABP5 Q01469 2/20 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
SCHEMBL28628765 0.96 AR (0.40) ARSLC18A3MEN1KMT2A
SCHEMBL6574591 0.84 MEN1 (0.41) MEN1KMT2AFABP7FABP3FABP5
Water SCHEMBL27287120 0.81 SLC18A3 (0.57) ARSLC18A3MEN1KMT2ACYP2D6
SCHEMBL28033277 0.79 SLC18A3 (0.41) ARSLC18A3MEN1KMT2ACYP2D6
SCHEMBL3869911 0.78 SLC18A3 (0.59) SLC18A3MEN1KMT2ACYP2D6TSHR
SCHEMBL5163055 0.78 SLC18A3 (0.59) SLC18A3MEN1KMT2ACYP2D6TSHR
SCHEMBL1149307 0.78 SLC18A3 (0.59) SLC18A3MEN1KMT2ACYP2D6TSHR
SCHEMBL407263 0.78 SLC18A3 (0.59) SLC18A3MEN1KMT2ACYP2D6TSHR
SCHEMBL8746667 0.78 SLC18A3 (0.59) SLC18A3MEN1KMT2ACYP2D6TSHR
SCHEMBL3693152 0.78 SLC18A3 (0.59) SLC18A3MEN1KMT2ACYP2D6TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106573886-A Process for preparing cyclic alpha-keto alcohols from cyclic alpha-keto enols 巴斯夫欧洲公司 2017-04-19 CN claimed
CN-105051012-A Ethylenically unsaturated oligomers containing polymer stabiliser groups BASF SE 2015-11-11 CN claimed
CN-109564797-A Film touch sensor and works including the film touch sensor 东友精细化工有限公司 2019-04-02 CN disclosed
CN-105051012-B Ethylenically unsaturated oligomers containing polymer stabiliser groups 巴斯夫欧洲公司 2019-01-04 CN disclosed
CN-108383719-A A kind of production technology of cyclohexanecarboxylic acid 湖北荆洪生物科技股份有限公司 2018-08-10 CN disclosed
CN-108352206-A Use of hydroxyiminoalkanoic acids as anti-nitrous acidifiers in the reductive stripping of plutonium 原子能和替代能源委员会 2018-07-31 CN disclosed
CN-107148419-A The inhibitor of ZESTE enhancers homologue 2 葛兰素史密斯克莱知识产权(第2 号)有限公司 2017-09-08 CN disclosed
CN-106661355-A Ink composition, inkjet recording method, and print article 日本化药株式会社 2017-05-10 CN disclosed
CN-106573886-A Process for preparing cyclic alpha-keto alcohols from cyclic alpha-keto enols 巴斯夫欧洲公司 2017-04-19 CN disclosed
CN-104284876-B Method for separating the mixture comprising phenol and Ketohexamethylene 埃克森美孚化学专利公司 2017-03-08 CN disclosed
CN-105051012-A Ethylenically unsaturated oligomers containing polymer stabiliser groups BASF SE 2015-11-11 CN disclosed
CN-102510856-B Aromatic sulfonium salt compound ADEKA CORP. (JP) 2015-08-05 CN disclosed
CN-104284876-A Process for separating a mixture comprising cyclohexanone and phenol EXXONMOBIL CHEM PATENTS INC 2015-01-14 CN disclosed
CN-104271543-A Process for producing phenol and cyclohexanone EXXONMOBIL CHEM PATENTS INC 2015-01-07 CN disclosed
US-20080194552-A1 Aminopyrimidine Derivatives With Tie2 Inhibiting Activity ASTRAZENECA AB (SE) 2008-08-14 US disclosed
EP-1893605-A2 SAMINOPYRIMIDINE DERIVATES WITH TIE2 INHIBITING ACTIVITY AstraZeneca AB (SE) 2008-03-05 EP disclosed
WO-2006103449-A2 SAMINOPYRIMIDINE DERIVATES WITH TIE2 INHIBITING ACTIVITY ASTRAZENECA AB (SE) 2006-10-05 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-20080194552-A1 Aminopyrimidine Derivatives With Tie2 Inhibiting Activity TIE1, TEK, FLT1 AR 2030/4885SLC18A3 4611/4885MEN1 816/4885

“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.