SCHEMBL8648643

SCHEMBL8648643

C1=C(C2CCCC2)C(C2CCCC2)c2ccccc21

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.33
PRCP P42785 1/20 0.33
IDO1 P14902 1/20 0.32
TDO2 P48775 1/20 0.32
GAA P10253 3/20 0.32
TDP1 Q9NUW8 1/20 0.32
PTPN1 P18031 2/20 0.31
KDM4E B2RXH2 1/20 0.31
HTR1D P28221 2/20 0.31
HTR1B P28222 2/20 0.31
OPRM1 P35372 1/20 0.30
OPRK1 P41145 1/20 0.30
PTPRC P08575 1/20 0.30
PTPRF P10586 1/20 0.30
CDC25B P30305 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
SCHEMBL5331264 0.98 PTGDR2 (0.36) PTGDR2PRCPIDO1TDO2GAA
SCHEMBL15265880 0.96 PTGDR2 (0.30) PTGDR2
SCHEMBL28281441 0.82
SCHEMBL27524770 0.76 PTGDR2 (0.37) PTGDR2GAATDP1PTPN1KDM4E
Hydrochloric Acid SCHEMBL6890562 0.76 GAA (0.33) PTGDR2GAATDP1KDM4E
SCHEMBL7164210 0.75 PRCP (0.36) PTGDR2PRCPIDO1TDO2GAA
Hydrochloric Acid SCHEMBL6889222 0.75 PTGDR2 (0.34) PTGDR2PRCPGAAPTPN1KDM4E
SCHEMBL27574092 0.73 PTGDR2 (0.34) PTGDR2IDO1TDO2GAAKDM4E
Hydrochloric Acid SCHEMBL6889660 0.71 PTGDR2 (0.31) PTGDR2
Hydrochloric Acid SCHEMBL6893725 0.71 PTGDR2 (0.31) PTGDR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3378312-B1 SUSTAINED RELEASE PHEROMONE PREPARATION SHINETSU CHEMICAL CO (JP) 2022-03-02 EP disclosed
US-20180271088-A1 SUSTAINED RELEASE PHEROMONE PREPARATION SHIN-ETSU CHEMICAL CO., LTD. (JP) 2018-09-27 US disclosed
EP-3378312-A1 SUSTAINED RELEASE PHEROMONE PREPARATION Shin-Etsu Chemical Co., Ltd. (JP) 2018-09-26 EP disclosed
US-5837777-A CATALYTIC ADDITION POLMERIZATION OF ACRYLATE MONOMER, REACTION WITH OTHER MONOMERS FOR MOLDING MATERIALS BASF AKTIENGESELLSCHAFT (DE) 1998-11-17 US disclosed
WO-1993007119-A1 NOVEL ANTIMALARIAL PEROXIDES AND PROCESSES FOR THEIR PRODUCTION AND USE BOARD OF REGENTS OF THE UNIVERSITY OF NEBRASKA (US) 1993-04-15 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-20180271088-A1 SUSTAINED RELEASE PHEROMONE PREPARATION AUP1, SHBG, ADH1A PTGDR2 1213/4885PRCP 3611/4885IDO1 4281/4885

“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.