SCHEMBL4352926

SCHEMBL4352926

CC(=O)OC(C)C1(O)CCCCC1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.41
CHRM2 P08172 2/20 0.33
CHRM4 P08173 2/20 0.33
CHRM1 P11229 2/20 0.33
CHRM3 P20309 1/20 0.33
TBXA2R P21731 1/20 0.32
GALR3 O60755 1/20 0.31
MAPT P10636 1/20 0.31
BLM P54132 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL28022534 0.94 TSHR (0.42) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL27669363 0.80 TSHR (0.38) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL15978076 0.76 PRKCA (0.34)
SCHEMBL11553089 0.75 TSHR (0.41) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL27831777 0.71 TSHR (0.46) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL31374111 0.69 TSHR (0.39) TSHRCHRM2CHRM4CHRM1TBXA2R
Cyclohexane SCHEMBL1659384 0.69 TSHR (0.82) TSHRCHRM2CHRM4CHRM1TBXA2R
Cyclohexane SCHEMBL6963396 0.69 TSHR (0.82) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL14883393 0.68 TSHR (0.32) TSHR
SCHEMBL14883392 0.68 TSHR (0.32) TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090258893-A1 FUSED QUINOLINE DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-15 US disclosed
EP-2080760-A1 Fused quinoline derivative and use thereof Takeda Pharmaceutical Company Limited (JP) 2009-07-22 EP disclosed
US-20080039452-A1 Fused Quinoline Derivative and Use Thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-02-14 US 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-20090258893-A1 FUSED QUINOLINE DERIVATIVE AND USE THEREOF TACR2, HRH3, HRH2 TSHR 515/4885CHRM2 158/4885CHRM4 495/4885
US-20080039452-A1 Fused Quinoline Derivative and Use Thereof TACR2, HRH3, HRH2 TSHR 496/4885CHRM2 158/4885CHRM4 483/4885

“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.