SCHEMBL1948872

SCHEMBL1948872

CC(C)(C)CCOc1cccc2c1C(=O)OC(C)(C)O2

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MCHR1 Q99705 1/20 0.39
▸ ALDH1A1 P00352 3/20 0.36
▸ NFKB1 P19838 3/20 0.36
▸ NFKB2 Q00653 3/20 0.36
▸ RELA Q04206 3/20 0.36
▸ PRKCA P17252 6/20 0.36
▸ IDO1 P14902 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ TXNRD1 Q16881 2/20 0.33
▸ TXNRD3 Q86VQ6 2/20 0.33
▸ TXNRD2 Q9NNW7 2/20 0.33
▸ HTR1A P08908 1/20 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
SCHEMBL15349588 0.83 ALDH1A1 (0.38) ALDH1A1PRKCATDP1L3MBTL1HTR1A
SCHEMBL21012608 0.83 ALDH1A1 (0.38) ALDH1A1PRKCATDP1L3MBTL1TXNRD1
SCHEMBL15349916 0.79 ALDH1A1 (0.39) ALDH1A1PRKCAIDO1TDP1L3MBTL1
SCHEMBL12676736 0.79 IDO1 (0.43) MCHR1NFKB1NFKB2RELAIDO1
SCHEMBL2761782 0.79 HPGD (0.42) MCHR1IDO1
SCHEMBL12676740 0.77 CYP11B1 (0.40) ALDH1A1TDP1L3MBTL1
SCHEMBL13517102 0.77 MAOB (0.38) ALDH1A1PRKCATDP1L3MBTL1HTR1A
SCHEMBL27032897 0.77 TXNRD1 (0.49) ALDH1A1TDP1L3MBTL1TXNRD1TXNRD3
SCHEMBL2762001 0.77 PRKCA (0.49) ALDH1A1PRKCATDP1L3MBTL1HTR1A
SCHEMBL31091551 0.77 PRKCA (0.49) ALDH1A1PRKCATDP1L3MBTL1HTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9174942-B2 IDO inhibitors NEWLINK GENETICS CORPORATION (US) 2015-11-03 — — US disclosed
US-9174942-B2 IDO inhibitors NEWLINK GENETICS CORPORATION (US) 2015-11-03 — — US disclosed
US-9174942-B2 IDO inhibitors NEWLINK GENETICS CORPORATION (US) 2015-11-03 — — US disclosed
US-20140323740-A1 IDO Inhibitors NEWLINK GENETICS CORPORATION (US) 2014-10-30 — — US disclosed
US-20140323740-A1 IDO Inhibitors NEWLINK GENETICS CORPORATION (US) 2014-10-30 — — US disclosed
US-8748469-B2 IDO inhibitors NEWLINK GENETICS CORPORATION (US) 2014-06-10 — — US disclosed
US-8748469-B2 IDO inhibitors NEWLINK GENETICS CORPORATION (US) 2014-06-10 — — US disclosed
US-8748469-B2 IDO inhibitors NEWLINK GENETICS CORPORATION (US) 2014-06-10 — — US disclosed
US-20110136796-A1 IDO Inhibitors NEWLINK GENETICS (US) 2011-06-09 — — US disclosed
US-20110136796-A1 IDO Inhibitors NEWLINK GENETICS (US) 2011-06-09 — — US disclosed
US-20110136796-A1 IDO Inhibitors NEWLINK GENETICS (US) 2011-06-09 — — US disclosed
WO-2009132238-A2 IDO INHIBITORS NEWLINK GENETICS (US) 2009-10-29 — — WO 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-20140323740-A1 IDO Inhibitors IDO1, IDO2, INMT MCHR1 612/4885ALDH1A1 983/4885NFKB1 1061/4885
US-20110136796-A1 IDO Inhibitors IDO1, IDO2, INMT MCHR1 612/4885ALDH1A1 983/4885NFKB1 1061/4885

“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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