SCHEMBL1908681

SCHEMBL1908681

C#Cc1ccc(CCCOC=O)cc1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ THRA P10827 1/20 0.35
▸ THRB P10828 1/20 0.35
▸ FFAR1 O14842 4/20 0.34
▸ S1PR1 P21453 1/20 0.33
▸ S1PR3 Q99500 1/20 0.33
▸ IDO1 P14902 1/20 0.32
▸ CA12 O43570 1/20 0.32
▸ CA1 P00915 1/20 0.32
▸ CA2 P00918 1/20 0.32
▸ CA4 P22748 1/20 0.32
▸ CA9 Q16790 1/20 0.32
▸ CA14 Q9ULX7 1/20 0.32
▸ LMNA P02545 1/20 0.31
▸ DRD2 P14416 1/20 0.30
▸ DRD4 P21917 1/20 0.30
▸ DRD3 P35462 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
SCHEMBL9865564 0.77 TSHR (0.51) CA12CA1CA2CA4CA9
SCHEMBL16070685 0.77 CALM1 (0.35) THRATHRBFFAR1IDO1LMNA
SCHEMBL11004564 0.77 KCNH2 (0.45) LMNADRD2DRD4DRD3
SCHEMBL19143127 0.77 LMNA (0.37) THRBFFAR1S1PR1S1PR3IDO1
SCHEMBL28070030 0.77 ESR1 (0.48) CA12CA1CA2CA4CA9
SCHEMBL5539415 0.77 MAOB (0.48) IDO1LMNA
SCHEMBL27373 0.76 IDO1 (0.55) FFAR1IDO1LMNADRD2DRD4
SCHEMBL5542777 0.74 FFAR1 (0.46) FFAR1IDO1LMNA
SCHEMBL6510439 0.74 CALM1 (0.53) —
Phenylacetylene SCHEMBL27820600 0.73 LTA4H (0.42) LMNA

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-9789118-B2 Bicyclic acetyl-CoA carboxylase inhibitors and uses thereof NOVARTIS AG (CH) 2017-10-17 — — US disclosed
US-20140171363-A1 BICYCLIC ACETYL-COA CARBOXYLASE INHIBITORS AND USES THEREOF NOVARTIS AG (CH) 2014-06-19 — — US disclosed
US-20120028969-A1 BICYCLIC ACETYL-COA CARBOXYLASE INHIBITORS AND USES THEREOF NOVARTIS AG (CH) 2012-02-02 — — 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-20140171363-A1 BICYCLIC ACETYL-COA CARBOXYLASE INHIBITORS AND USES THEREOF ACACA, ACACB, COASY THRA 3680/4885THRB 3231/4885FFAR1 1817/4885
US-20120028969-A1 BICYCLIC ACETYL-COA CARBOXYLASE INHIBITORS AND USES THEREOF ACACA, ACACB, COASY THRA 3680/4885THRB 3231/4885FFAR1 1817/4885

“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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