SCHEMBL18150899

SCHEMBL18150899

COCCn1ccc(B2OC(C)(C)C(C)(C)O2)cc1=O

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ACACB O00763 1/20 0.36
CSF1R P07333 1/20 0.35
LPL P06858 7/20 0.35
LIPG Q9Y5X9 7/20 0.35
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
GLO1 Q04760 2/20 0.33
ALDH1A1 P00352 1/20 0.33
BACE1 P56817 1/20 0.33
PRMT5 O14744 1/20 0.33
WDR77 Q9BQA1 1/20 0.33
ROCK1 Q13464 1/20 0.32
HIF1A Q16665 1/20 0.32
DGAT1 O75907 1/20 0.32
KEAP1 Q14145 1/20 0.31
NFE2L2 Q16236 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
SCHEMBL17197326 0.83 BACE1 (0.38) CSF1RLPLLIPGCA1CA2
SCHEMBL3668225 0.83 LIPG (0.36) LPLLIPGCA1CA2CA9
SCHEMBL16466430 0.81 LIPG (0.41) CSF1RLPLLIPGCA1CA2
SCHEMBL3761769 0.81 HTR2C (0.37) LPLLIPGPRMT5WDR77ROCK1
SCHEMBL506428 0.80 LPL (0.38) CSF1RLPLLIPGCA1CA2
SCHEMBL18239405 0.79 IRAK4 (0.40) LPLLIPGGLO1
SCHEMBL20604879 0.79 GLO1 (0.41) LPLLIPGGLO1
SCHEMBL28868834 0.78 LIPG (0.43) LPLLIPGROCK1HIF1A
SCHEMBL3664117 0.78 CNR2 (0.36) ALDH1A1
SCHEMBL20503965 0.78 MCHR1 (0.41) LPLLIPGALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10266532-B2 Tricyclic modulators of TNF signaling ABBVIE INC. (US) 2019-04-23 US disclosed
US-20180179198-A1 TRICYCLIC MODULATORS OF TNF SIGNALING ABBVIE INC. 2018-06-28 US disclosed
US-9856253-B2 Tricyclic modulators of TNF signaling ABBVIE, INC. (US) 2018-01-02 US disclosed
US-20160304517-A1 TRICYCLIC MODULATORS OF TNF SIGNALING ABBVIE INC. 2016-10-20 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-20160304517-A1 TRICYCLIC MODULATORS OF TNF SIGNALING TNF, TNFRSF1A, CD40 ACACB 3668/4885CSF1R 483/4885LPL 4619/4885
US-10266532-B2 Tricyclic modulators of TNF signaling TNF, TNFRSF1A, CD40 ACACB 3668/4885CSF1R 483/4885LPL 4619/4885
US-20180179198-A1 TRICYCLIC MODULATORS OF TNF SIGNALING TNF, TNFRSF1A, CD40 ACACB 3668/4885CSF1R 483/4885LPL 4619/4885

“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.