SCHEMBL8648641

SCHEMBL8648641

C1=CC(C2CCCC2)(C2CCCC2)c2ccccc21

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TMEM97 Q5BJF2 2/20 0.37
CHRM2 P08172 1/20 0.36
CHRM4 P08173 1/20 0.36
CHRM5 P08912 1/20 0.36
CHRM1 P11229 1/20 0.36
DRD2 P14416 1/20 0.36
CHRM3 P20309 1/20 0.36
DRD1 P21728 1/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
ADRA1A P35348 1/20 0.36
HTR2B P41595 1/20 0.36
SIGMAR1 Q99720 1/20 0.36

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
SCHEMBL5331260 0.98 TMEM97 (0.39) TMEM97CHRM2CHRM4CHRM5CHRM1
SCHEMBL15265879 0.96 CHRM2 (0.36) TMEM97CHRM2CHRM4CHRM5CHRM1
SCHEMBL5897555 0.71 HTR2A (0.32) CHRM2CHRM4CHRM5CHRM1DRD2
SCHEMBL6294617 0.69 CHRM3 (0.30) CHRM2CHRM4CHRM5CHRM1DRD2
SCHEMBL6290097 0.68 CHRM3 (0.31) TMEM97CHRM3
SCHEMBL6294598 0.68 CHRM3 (0.31) TMEM97CHRM3
SCHEMBL3923960 0.65 OXTR (0.49)
SCHEMBL8200284 0.65 MAPK1 (0.47) CHRM2CHRM4CHRM5CHRM1DRD2
SCHEMBL11122795 0.65 OXTR (0.49)
SCHEMBL3371963 0.65 CHRM3 (0.30) CHRM2CHRM4CHRM5CHRM1DRD2

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 TMEM97 479/4885CHRM2 327/4885CHRM4 911/4885

“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.