SCHEMBL12014

SCHEMBL12014

CCOC1CCC(C)CC1

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TSHR P16473 2/20 0.32
NPSR1 Q6W5P4 1/20 0.32
CYP19A1 P11511 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
HCRTR2 O43614 2/20 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
SCHEMBL13429399 1.00 ALDH1A1 (0.33) ALDH1A1SMN1; SMN2TSHRNPSR1CYP19A1
SCHEMBL8356702 1.00 ALDH1A1 (0.33) ALDH1A1SMN1; SMN2TSHRNPSR1CYP19A1
SCHEMBL10707153 0.92 ALDH1A1 (0.30) ALDH1A1SMN1; SMN2
SCHEMBL10486149 0.92 ALDH1A1 (0.30) ALDH1A1SMN1; SMN2
SCHEMBL10486145 0.92 ALDH1A1 (0.30) ALDH1A1SMN1; SMN2
SCHEMBL3935881 0.88
SCHEMBL12855787 0.87 ALDH1A1 (0.39) ALDH1A1SMN1; SMN2
SCHEMBL184319 0.87
SCHEMBL20664256 0.86
SCHEMBL20664323 0.86 HCRTR2 (0.33) HCRTR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4497815-A 1-(N-Substituted carbamoyl)-5-fluorouracil derivatives and the carcinostatic agents containing same as active ingredients Ozaki, Shoichiro (JP) 1985-02-05 US claimed
US-20230303555-A1 PYRIMID-2-YL-PYRAZOLE COMPOUNDS AS IRAK INHIBITORS RIGEL PHARMACEUTICALS, INC. (US) 2023-09-28 US disclosed
US-20230183217-A1 INHIBITORS OF LRRK2 KINASE HALIA THERAPEUTICS INC (US) 2023-06-15 US disclosed
WO-2023064366-A1 PYRROLO[2,1-F][1,2,4]TRIAZINES DERIVATIVES AS INHIBITORS OF DYRK1A BIOSPLICE THERAPEUTICS, INC. (US) 2023-04-20 WO disclosed
WO-2022048684-A1 JNK INHIBITOR, PHARMACEUTICAL COMPOSITION THEREOF AND USE THEREOF 武汉朗来科技发展有限公司 2022-03-10 WO disclosed
US-10696666-B2 Pharmaceutical compounds CellCentric Limited (GB) 2020-06-30 US disclosed
US-20180111923-A1 IRAK INHIBITORS AND METHOD FOR MAKING AND USING RIGEL PHARMACEUTICALS, INC. 2018-04-26 US disclosed
WO-2018073587-A1 PHARMACEUTICAL COMPOUNDS CELLCENTRIC LTD (GB) 2018-04-26 WO disclosed
EP-2970155-B1 INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE (IDO) BRISTOL MYERS SQUIBB CO (US) 2018-04-25 EP disclosed
US-9904172-B2 Shrink material and pattern forming process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2018-02-27 US disclosed
US-20090028818-A1 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC 2009-01-29 US disclosed
WO-2009013171-A2 HETEROCYCLIC ANTIVIRAL COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2009-01-29 WO disclosed
US-20080306069-A1 Pyrazole Derivatives for the Inhibition of CDK'S and GSK'S ASTEX THERAPEUTICS LIMITED (UK) 2008-12-11 US disclosed
WO-2008119663-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2008-10-09 WO disclosed
US-20080249087-A1 Heterocylic antiviral compounds ROCHE PALO ALTO LLC 2008-10-09 US disclosed
US-20070286842-A1 Organic Compounds and Their Uses NOVARTIS AG (CH) 2007-12-13 US disclosed
US-20070032433-A1 Novel peptides as NS3-serine protease inhibitors of hepatitis C virus SCHERING CORPORATION CORVAS INTERNATIONAL, LTD. 2007-02-08 US disclosed
WO-2006077414-A1 PYRAZOLE DERIVATIVES FOR THE INHIBITION OF CDK' S AND GSK' S ASTEX THERAPEUTICS LIMITED (GB) 2006-07-27 WO disclosed
US-4497815-A 1-(N-Substituted carbamoyl)-5-fluorouracil derivatives and the carcinostatic agents containing same as active ingredients Ozaki, Shoichiro (JP) 1985-02-05 US disclosed
US-4497815-A 1-(N-Substituted carbamoyl)-5-fluorouracil derivatives and the carcinostatic agents containing same as active ingredients Ozaki, Shoichiro (JP) 1985-02-05 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 (9 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-20070286842-A1 Organic Compounds and Their Uses OAT, OTC, AOX1 ALDH1A1 135/4885SMN1; SMN2 877/4885TSHR 3678/4885
US-20080306069-A1 Pyrazole Derivatives for the Inhibition of CDK'S and GSK'S GSK3A, CDK11A, CDK1 ALDH1A1 1576/4885SMN1; SMN2 3655/4885TSHR 866/4885
US-20230183217-A1 INHIBITORS OF LRRK2 KINASE LRRK2, SNCA, PRKAR2B ALDH1A1 2661/4885SMN1; SMN2 536/4885TSHR 3111/4885
US-20180111923-A1 IRAK INHIBITORS AND METHOD FOR MAKING AND USING IRAK1, IRAK2, IRAK3 ALDH1A1 1451/4885SMN1; SMN2 1182/4885TSHR 4127/4885
US-20090028818-A1 Heterocyclic antiviral compounds CCR5, CCR1, CCR2 ALDH1A1 622/4885SMN1; SMN2 3036/4885TSHR 577/4885
US-20230303555-A1 PYRIMID-2-YL-PYRAZOLE COMPOUNDS AS IRAK INHIBITORS IRAK2, IRAK3, IRAK1 ALDH1A1 1493/4885SMN1; SMN2 1685/4885TSHR 3535/4885
US-20070032433-A1 Novel peptides as NS3-serine protease inhibitors of hepatitis C virus HPN, TMPRSS15, VIP ALDH1A1 2369/4885SMN1; SMN2 3286/4885TSHR 4691/4885
US-20080249087-A1 Heterocylic antiviral compounds CCR5, CCR1, CXCR1 ALDH1A1 339/4885SMN1; SMN2 3620/4885TSHR 1007/4885
US-10696666-B2 Pharmaceutical compounds EP300, HDAC1, HDAC11 ALDH1A1 768/4885SMN1; SMN2 3831/4885TSHR 3664/4885

“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.