SCHEMBL3124388

SCHEMBL3124388

CCCCc1cc[nH]c1CCCC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 1/20 0.39
TYR P14679 2/20 0.38
PBRM1 Q86U86 1/20 0.36
HRH3 Q9Y5N1 1/20 0.35
CTRC Q99895 1/20 0.35
LIPG Q9Y5X9 1/20 0.33
CYP3A4 P08684 2/20 0.33
TLR8 Q9NR97 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP19A1 P11511 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
MEN1 O00255 1/20 0.32
TP53 P04637 1/20 0.32
ALOX5 P09917 1/20 0.32
MAPT P10636 1/20 0.32
ALOX15 P16050 1/20 0.32
TSHR P16473 1/20 0.32
HTT P42858 1/20 0.32

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
SCHEMBL82799 0.94 GPR84 (0.46) GPR84TYRLIPGCYP3A4MEN1
SCHEMBL28171089 0.92 GPR84 (0.49) GPR84TYRLIPGCYP3A4MEN1
SCHEMBL28843604 0.92 GPR84 (0.49) GPR84TYRLIPGCYP3A4MEN1
SCHEMBL9784830 0.92 GPR84 (0.49) GPR84TYRLIPGCYP3A4MEN1
SCHEMBL29405184 0.92 GPR84 (0.49) GPR84TYRLIPGCYP3A4MEN1
Bromide SCHEMBL31310734 0.90 GPR84 (0.47) GPR84TYRLIPGCYP3A4MEN1
SCHEMBL15537389 0.89 GPR84 (0.42) GPR84TYRPBRM1HRH3CTRC
SCHEMBL10538542 0.84 GPR84 (0.34) GPR84PBRM1
SCHEMBL27763230 0.82 GPR84 (0.33) GPR84PBRM1
SCHEMBL28253637 0.82 GPR84 (0.47) GPR84TYRLIPGCYP3A4MEN1

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
CN-104073910-B Application of the ionic liquid in polyethylene terephthalate composite fibre 浙江佳华精化股份有限公司 2017-06-20 CN claimed
CN-104073900-B Application of ionic liquid to polyurethane complex fiber 杭州师范大学 2017-05-10 CN claimed
US-11530177-B2 Formation of α,β-unsaturated carboxylic acids and salts thereof from metalalactones and anionic polyelectrolytes CHEVRON PHILLIPS CHEMICAL COMPANY LP (US) 2022-12-20 US disclosed
CN-113622045-B Glass-like polymer fiber and preparation method thereof 东华大学 2022-05-31 CN disclosed
US-20210179525-A1 FORMATION OF ALPHA,BETA-UNSATURATED CARBOXYLIC ACIDS AND SALTS THEREOF FROM METALALACTONES AND ANIONIC POLYELECTROLYTES CHEVRON PHILLIPS CHEMICAL COMPANY LP (US) 2021-06-17 US disclosed
CN-108431093-A The manufacturing method of dispersion liquid containing electric conductive polymer 昭和电工株式会社 2018-08-21 CN disclosed
CN-106935907-A Lithium metal battery 三星电子株式会社 2017-07-07 CN disclosed
CN-104073910-B Application of the ionic liquid in polyethylene terephthalate composite fibre 浙江佳华精化股份有限公司 2017-06-20 CN disclosed
CN-104073900-B Application of ionic liquid to polyurethane complex fiber 杭州师范大学 2017-05-10 CN disclosed
WO-2010032603-A1 SEMICONDUCTOR DEVICE AND WIRELESS TAG USING THE SAME SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2010-03-25 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-20210179525-A1 FORMATION OF ALPHA,BETA-UNSATURATED CARBOXYLIC ACIDS AND SALTS THEREOF FROM METALALACTONES AND ANIONIC POLYELECTROLYTES ME1, DEGS1, ACSL1 GPR84 1067/4885TYR 4083/4885PBRM1 1738/4885
US-11530177-B2 Formation of α,β-unsaturated carboxylic acids and salts thereof from metalalactones and anionic polyelectrolytes ME1, ACSL1, ALOX12 GPR84 1003/4885TYR 3981/4885PBRM1 1771/4885

“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.