SCHEMBL13221522

SCHEMBL13221522

CCCCOc1ccc(C(=O)N(C)OC)cc1

nearest known ligand 0.71

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.55
▸ TP53 P04637 1/20 0.55
▸ PLA2G4B P0C869 2/20 0.54
▸ THRA P10827 1/20 0.54
▸ THRB P10828 1/20 0.54
▸ POLB P06746 1/20 0.52
▸ L3MBTL1 Q9Y468 2/20 0.51
▸ RARB P10826 3/20 0.51

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
SCHEMBL6539277 0.97 TP53 (0.60) TSHRTP53PLA2G4BTHRATHRB
SCHEMBL15537810 0.92 THRA (0.59) TSHRTP53THRATHRB
SCHEMBL1984870 0.86 DRD2 (0.56) TP53THRATHRBPOLB
SCHEMBL10932269 0.85 ALDH1A1 (0.61) TSHRTP53PLA2G4BTHRATHRB
SCHEMBL8477806 0.84 MCHR1 (0.57) —
SCHEMBL7637707 0.82 TP53 (0.66) TSHRTP53PLA2G4BTHRATHRB
SCHEMBL13194647 0.81 MAPT (0.47) TSHRTP53THRATHRBPOLB
SCHEMBL31395231 0.80 GPR88 (0.47) —
SCHEMBL15000385 0.80 LTB4R (0.49) TSHRTP53PLA2G4BTHRATHRB
SCHEMBL7140622 0.79 THRA (0.55) THRATHRBRARB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160058894-A1 RADIOLABELED PDE10A LIGANDS ABBVIE DEUTSCHLAND (DE) 2016-03-03 — — US disclosed
US-9138494-B2 Radiolabeled PDE10A ligands ABBVIE INC. (US) 2015-09-22 — — US disclosed
US-7772425-B2 Vitamin D receptor modulators ELI LILLY AND COMPANY (US) 2010-08-10 — — US disclosed
US-7750184-B2 Vitamin D receptor modulators ELI LILLY AND COMPANY (US) 2010-07-06 — — US disclosed
US-20090227604-A1 VITAMIN D RECEPTOR MODULATORS ELI LILLY AND COMPANY 2009-09-10 — — US disclosed
US-7566803-B2 Vitamin D receptor modulators ELI LILLY AND COMPANY (US) 2009-07-28 — — US disclosed
US-20090018058-A1 Vitamin D Receptor Modulators ELI LILLY AND COMPANY (US) 2009-01-15 — — 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 (3 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-20090227604-A1 VITAMIN D RECEPTOR MODULATORS VDR, CYP24A1, CYP2R1 TSHR 512/4885TP53 2726/4885PLA2G4B 901/4885
US-20090018058-A1 Vitamin D Receptor Modulators VDR, CYP2R1, CYP24A1 TSHR 453/4885TP53 3326/4885PLA2G4B 711/4885
US-20160058894-A1 RADIOLABELED PDE10A LIGANDS PDE10A, PDE3A, PDE5A TSHR 948/4885TP53 4798/4885PLA2G4B 397/4885

“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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