SCHEMBL6314938

SCHEMBL6314938

CSCCOC(=O)C(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 2/20 0.41
▸ POLB P06746 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ PRKCA P17252 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.32
▸ MEN1 O00255 2/20 0.31
▸ MAPT P10636 2/20 0.31
▸ RECQL P46063 2/20 0.31
▸ KMT2A Q03164 2/20 0.31
▸ ELANE P08246 1/20 0.31
▸ RNPEP Q9H4A4 1/20 0.30
▸ NPC1 O15118 1/20 0.30
▸ TP53 P04637 1/20 0.30
▸ HPGD P15428 1/20 0.30
▸ NFKB1 P19838 1/20 0.30
▸ MAPK1 P28482 1/20 0.30
▸ RAB9A P51151 1/20 0.30
▸ NFKB2 Q00653 1/20 0.30
▸ RELA Q04206 1/20 0.30
▸ SMN1; SMN2 Q16637 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
SCHEMBL13686639 0.87 POLB (0.39) GAAPOLBNPSR1PRKCAALDH1A1
SCHEMBL20976670 0.84 ACHE (0.40) ALDH1A1L3MBTL1
SCHEMBL20414057 0.84 PRKCA (0.44) GAAPOLBNPSR1PRKCAMEN1
SCHEMBL18649527 0.84 POLB (0.37) GAAPOLBNPSR1PRKCAALDH1A1
SCHEMBL13773308 0.83 GAA (0.35) GAAPOLBNPSR1ALDH1A1MEN1
SCHEMBL10262820 0.81 CYP4F2 (0.34) —
SCHEMBL18665330 0.80 POLB (0.40) GAAPOLBNPSR1PRKCA
SCHEMBL7434039 0.80 ALDH1A1 (0.31) GAAALDH1A1MEN1MAPTRECQL
SCHEMBL844708 0.80 POLB (0.40) GAAPOLBNPSR1PRKCANPC1
SCHEMBL4258156 0.80 POLB (0.48) GAAPOLBNPSR1PRKCAALDH1A1

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-20230152692-A1 CHEMICALLY AMPLIFIED RESIST COMPOSITION AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-05-18 — — US disclosed
EP-2001474-B1 BICYCLOHETEROARYL COMPOUNDS AS P2X7 MODULATORS AND USES THEREOF SECOND GENOME INC (US) 2016-03-09 — — EP disclosed
EP-1933622-B1 BICYCLOHETEROARYL COMPOUNDS AS P2X7 MODULATORS AND USES THEREOF SECOND GENOME INC (US) 2016-03-09 — — EP disclosed
US-8546579-B2 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof EVOTEC (US) INC. (US) 2013-10-01 — — US disclosed
US-8546579-B2 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof EVOTEC (US) INC. (US) 2013-10-01 — — US disclosed
US-20110092476-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof RENOVIS, INC. 2011-04-21 — — US disclosed
US-20100292235-A1 Bicycloheteroaryl Compounds as P2x7 Modulators and Uses Thereof SECOND GENOME, INC. 2010-11-18 — — US disclosed
US-7816371-B2 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof RENOVIS, INC. (US) 2010-10-19 — — US disclosed
US-20070225324-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof SECOND GENOME, INC. 2007-09-27 — — US disclosed
US-6906096-B2 4,7-Disubstituted indoles and methods of making IRM LLC (BM) 2005-06-14 — — US disclosed
US-20040110944-A1 4,7-Disubstituted indoles and methods of making IRM LLC (BM) 2004-06-10 — — US disclosed
WO-2004014294-A2 4,7-DISUBSTITUTED INDOLES AND METHODS OF MAKING IRM LLC (BM) 2004-02-19 — — 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 (4 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-20040110944-A1 4,7-Disubstituted indoles and methods of making IDO1, IDO2, INMT GAA 4475/4885POLB 3698/4885NPSR1 517/4885
US-20100292235-A1 Bicycloheteroaryl Compounds as P2x7 Modulators and Uses Thereof P2RX7, P2RX3, P2RX2 GAA 4179/4885POLB 3676/4885NPSR1 326/4885
US-20070225324-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof P2RX7, P2RX3, P2RX2 GAA 4179/4885POLB 3676/4885NPSR1 326/4885
US-20110092476-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof P2RX7, P2RX3, P2RX2 GAA 4179/4885POLB 3676/4885NPSR1 326/4885

“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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