SCHEMBL682779

SCHEMBL682779

CCOc1cc(C(C)C)ccc1OC

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.52
SMN1; SMN2 Q16637 2/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
HIF1A Q16665 1/20 0.49
PDE4A P27815 9/20 0.47
PDE4B Q07343 9/20 0.47
PDE4C Q08493 9/20 0.47
PDE4D Q08499 9/20 0.47
KDM4E B2RXH2 1/20 0.47
GAA P10253 1/20 0.47
MAPT P10636 1/20 0.47
LMNA P02545 1/20 0.47
MAPK1 P28482 1/20 0.46
PPARG P37231 1/20 0.45
PPARD Q03181 1/20 0.45
PPARA Q07869 1/20 0.45

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
SCHEMBL682781 0.93 GAA (0.56) ALDH1A1SMN1; SMN2HIF1AKDM4EGAA
SCHEMBL683930 0.90 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2L3MBTL1KDM4EGAA
SCHEMBL20459373 0.87 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2L3MBTL1HIF1APDE4A
SCHEMBL16950687 0.86 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2L3MBTL1HIF1APDE4A
SCHEMBL1223581 0.86 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2L3MBTL1HIF1APDE4A
SCHEMBL15870719 0.86 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2L3MBTL1HIF1APDE4A
SCHEMBL3049101 0.86 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2L3MBTL1HIF1APDE4A
SCHEMBL11951574 0.86 PDE4A (0.44) SMN1; SMN2PDE4APDE4BPDE4DKDM4E
SCHEMBL11951564 0.84 SMPD1 (0.46) SMN1; SMN2HIF1APDE4APDE4BPDE4C
Hydrochloric Acid SCHEMBL5123974 0.84 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2L3MBTL1HIF1APDE4A

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 31 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240065264-A1 COMPOUNDS AND COMPOSITIONS FOR NEMATODE TREATMENT UNIV IOWA STATE RES FOUND INC (US) 2024-02-29 US disclosed
US-20240065264-A1 COMPOUNDS AND COMPOSITIONS FOR NEMATODE TREATMENT UNIV IOWA STATE RES FOUND INC (US) 2024-02-29 US disclosed
US-20210298295-A1 COMPOUNDS AND COMPOSITIONS FOR NEMATODE TREATMENT IOWA STATE UNIVERSITY RESEARCH FOUNDATION, INC. 2021-09-30 US disclosed
US-10385026-B2 Phthalazinones and isoquinolinones as rock inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2019-08-20 US disclosed
US-20180162823-A1 PHTHALAZINONES AND ISOQUINOLINONES AS ROCK INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2018-06-14 US disclosed
US-20170145011-A1 Pyrrolopyrazine-Spirocyclic piperidine amides as modulators of ion channels VERTEX PHARMA (US) 2017-05-25 US disclosed
US-9511067-B2 Substituted spiro[piperidine-4,1'-pyrrolo[1,2-a]pyrazine]s as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2016-12-06 US disclosed
US-20150174127-A1 Pyrrolopyrazine-Spirocyclic piperidine amides as modulators of ion channels VERTEX PHARMACEUTICALS (SAN DIEGO) LLC 2015-06-25 US disclosed
US-8916565-B2 Pyrrolopyrazine-spirocyclic piperidine amides as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-12-23 US disclosed
US-20140171427-A1 Heterocyclic chromene-spirocyclic piperidine amides as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-06-19 US disclosed
US-20090270433-A1 2,3-DIHYDRO-IMINOISOINDOLE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-10-29 US disclosed
US-7579479-B2 Substituted acid derivatives useful as antidiabetic and antiobesity agents and method BRISTOL-MYERS SQUIBB COMPANY (US) 2009-08-25 US disclosed
US-7439258-B2 Viral polymerase inhibitors BOEHRINGER INGELHEIM (CANADA) LTD (CA) 2008-10-21 US disclosed
US-7439258-B2 Viral polymerase inhibitors BOEHRINGER INGELHEIM (CANADA) LTD (CA) 2008-10-21 US disclosed
US-20080014189-A1 DIAMINOTRIAZOLES USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMACEUTICALS INCORPORATED 2008-01-17 US disclosed
US-20080014189-A1 DIAMINOTRIAZOLES USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMACEUTICALS INCORPORATED 2008-01-17 US disclosed
US-20080015199-A1 Triazolone derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2008-01-17 US disclosed
US-7279469-B2 Diaminotriazoles useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-10-09 US disclosed
US-7241780-B2 Substituted acid derivatives useful as antidiabetic and antiobesity agents and method BRISTOLS-MYERS SQUIBB COMPANY (US) 2007-07-10 US disclosed
US-20070015797-A1 Substituted acid derivatives useful as antidiabetic and antiobesity agents and method CHENG PETER T 2007-01-18 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 (11 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-20150174127-A1 Pyrrolopyrazine-Spirocyclic piperidine amides as modulators of ion channels KCNJ2, KCNJ5, KCNJ1 ALDH1A1 1663/4885SMN1; SMN2 1522/4885L3MBTL1 4782/4885
US-20170145011-A1 Pyrrolopyrazine-Spirocyclic piperidine amides as modulators of ion channels KCNJ2, KCNJ5, KCNJ1 ALDH1A1 1663/4885SMN1; SMN2 1522/4885L3MBTL1 4782/4885
US-20210298295-A1 COMPOUNDS AND COMPOSITIONS FOR NEMATODE TREATMENT HNMT, TUBB6, SGMS2 ALDH1A1 2714/4885SMN1; SMN2 1140/4885L3MBTL1 3748/4885
US-20080014189-A1 DIAMINOTRIAZOLES USEFUL AS INHIBITORS OF PROTEIN KINASES MAP3K20, MAP3K1, MAP3K5 ALDH1A1 3235/4885SMN1; SMN2 3129/4885L3MBTL1 3992/4885
US-20140171427-A1 Heterocyclic chromene-spirocyclic piperidine amides as modulators of ion channels KCNJ2, TRPV1, KCNJ1 ALDH1A1 1614/4885SMN1; SMN2 1198/4885L3MBTL1 4783/4885
US-20240065264-A1 COMPOUNDS AND COMPOSITIONS FOR NEMATODE TREATMENT HNMT, TUBB6, SGMS2 ALDH1A1 2714/4885SMN1; SMN2 1140/4885L3MBTL1 3748/4885
US-20180162823-A1 PHTHALAZINONES AND ISOQUINOLINONES AS ROCK INHIBITORS MYLK, MYLK2, ROCK1 ALDH1A1 2535/4885SMN1; SMN2 981/4885L3MBTL1 4695/4885
US-10385026-B2 Phthalazinones and isoquinolinones as rock inhibitors MYLK, MYLK2, ROCK1 ALDH1A1 2535/4885SMN1; SMN2 981/4885L3MBTL1 4695/4885
US-20090270433-A1 2,3-DIHYDRO-IMINOISOINDOLE DERIVATIVES SERPINC1, F7, F2 ALDH1A1 1107/4885SMN1; SMN2 3269/4885L3MBTL1 1111/4885
US-20070015797-A1 Substituted acid derivatives useful as antidiabetic and antiobesity agents and method GPR119, LIPC, ACACA ALDH1A1 1055/4885SMN1; SMN2 4228/4885L3MBTL1 1217/4885
US-20080015199-A1 Triazolone derivatives F3, F12, F2 ALDH1A1 710/4885SMN1; SMN2 3935/4885L3MBTL1 932/4885

“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.