SCHEMBL12889170

SCHEMBL12889170

CCCCCCOc1ccc(C2CCC(/C=C/c3ccc(C)c(F)c3F)CC2)c(F)c1

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PDE2A O00408 4/20 0.33
▸ THRA P10827 3/20 0.33
▸ THRB P10828 2/20 0.33
▸ CRBN Q96SW2 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ ACACB O00763 1/20 0.32
▸ CNR2 P34972 5/20 0.32
▸ CNR1 P21554 3/20 0.32
▸ TLR4 O00206 1/20 0.32
▸ TLR2 O60603 1/20 0.32
▸ HTR2A P28223 1/20 0.32
▸ HTR1D P28221 2/20 0.32
▸ HTR1B P28222 2/20 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
SCHEMBL12889169 1.00 PDE2A (0.33) PDE2ATHRATHRBCRBNTSHR
SCHEMBL10301845 1.00 PDE2A (0.33) PDE2ATHRATHRBCRBNTSHR
SCHEMBL10301843 0.99 CRBN (0.34) PDE2ATHRATHRBCRBNTSHR
SCHEMBL10301842 0.97 CRBN (0.35) PDE2ACRBNACACBTLR4TLR2
SCHEMBL12734182 0.90 HRH3 (0.34) PDE2ATHRATHRBCRBNTSHR
SCHEMBL12734179 0.90 HRH3 (0.34) PDE2ATHRATHRBCRBNTSHR
SCHEMBL12734185 0.90 HRH3 (0.34) PDE2ATHRATHRBCRBNTSHR
SCHEMBL10301841 0.89 HPGD (0.32) THRBTSHR
SCHEMBL12734169 0.89 CRBN (0.33) PDE2ACRBNTSHRCNR2CNR1
SCHEMBL10301849 0.88 MAPT (0.31) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110037024-A1 THREE-RING LIQUID CRYSTAL COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE CHISSO CORPORATION (JP) 2011-02-17 — — 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 (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-20110037024-A1 THREE-RING LIQUID CRYSTAL COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE LEF1, LAS1L, L3MBTL3 PDE2A 3397/4885THRA 2022/4885THRB 3016/4885

“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.

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