SCHEMBL257683

SCHEMBL257683

CCOC1CCCCC1C

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MAPK1 P28482 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA4 P22748 1/20 0.35
CYP19A1 P11511 1/20 0.34
KDM4E B2RXH2 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
SCHEMBL16378461 1.00 ALDH1A1 (0.39) ALDH1A1SMN1; SMN2MAPK1CA1CA2
SCHEMBL19055312 1.00 ALDH1A1 (0.39) ALDH1A1SMN1; SMN2MAPK1CA1CA2
SCHEMBL19055335 1.00 ALDH1A1 (0.39) ALDH1A1SMN1; SMN2MAPK1CA1CA2
SCHEMBL12165146 0.98 ALDH1A1 (0.38) ALDH1A1SMN1; SMN2MAPK1CA1CA2
SCHEMBL12165148 0.98 ALDH1A1 (0.38) ALDH1A1SMN1; SMN2MAPK1CA1CA2
SCHEMBL12165151 0.95
SCHEMBL21020980 0.95
SCHEMBL1911327 0.95
SCHEMBL21357944 0.84 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2MAPK1KDM4E
SCHEMBL15424813 0.81 CYP19A1 (0.33) CA1CA2CA4CYP19A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3233858-B1 ERK INHIBITORS MERCK SHARP & DOHME (US) 2019-10-30 EP disclosed
US-9802952-B2 Method and apparatus for the synthesis of dihydroartemisinin and artemisinin derivatives Max-Plank-Gesellschaft zur Förderung der Wissenschaften e.v. (DE) 2017-10-31 US disclosed
US-20170266167-A1 ERK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2017-09-21 US disclosed
EP-3022208-B1 METHOD AND APPARATUS FOR THE SYNTHESIS OF DIHYDROARTEMISININ AND ARTEMISININ DERIVATIVES MAX-PLANCK-GESELLSCHAFT ZUR FÖRDERUNG DER WSS (DE) 2017-06-14 EP disclosed
US-20160145265-A1 METHOD AND APPARATUS FOR THE SYNTHESIS OF DIHYDROARTEMISININ AND ARTEMISININ DERIVATIVES MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2016-05-26 US disclosed
EP-2820020-B1 PYRAZOLO-TRIAZINE DERIVATIVES AS SELECTIVE CYCLIN-DEPENDENT KINASE INHIBITORS LEAD DISCOVERY CENTER GMBH (DE) 2016-04-06 EP disclosed
US-9238039-B2 Pyrazolo[1,5-A]pyrimidines for antiviral treatment GILEAD SCIENCES, INC. (US) 2016-01-19 US disclosed
US-9096608-B2 Pharmaceutically active pyrazolo-triazine derivatives LEAD DISCOVERY CENTER GMBH (DE) 2015-08-04 US disclosed
US-20150111873-A1 PHARMACEUTICALLY ACTIVE PYRAZOLO-TRIAZINE DERIVATIVES LEAD DISCOVERY CENTER GMBH (DE) 2015-04-23 US disclosed
WO-2015007693-A1 METHOD AND APPARATUS FOR THE SYNTHESIS OF DIHYDROARTEMISININ AND ARTEMISININ DERIVATIVES MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2015-01-22 WO disclosed
US-8211932-B2 Organic compounds and their uses NOVARTIS AG (CH) 2012-07-03 US disclosed
WO-2012029942-A1 CYCLIC AMIDE DERIVATIVE 大日本住友製薬株式会社 (JP) 2012-03-08 WO disclosed
EP-2402009-A1 Inhibitors of serine protease, particularly hepatitis c virus NS3-NS4A protease, incorporating a fused ring system VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-01-04 EP disclosed
US-20100331243-A1 ORGANIC COMPOUNDS AND THEIR USES NOVARTIS AG (CH) 2010-12-30 US disclosed
US-7825152-B2 serine protease inhibitors, for the treatment of hepatitis c virus infections NOVARTIS AG (CH) 2010-11-02 US disclosed
US-20100204159-A1 ORGANIC COMPOUNDS AND THEIR USES NOVARTIS AG (CH) 2010-08-12 US disclosed
US-20090264405-A1 Cetp Inhibitors MERCK SHARP & DOHME LLC 2009-10-22 US disclosed
US-20070286842-A1 Organic Compounds and Their Uses NOVARTIS AG (CH) 2007-12-13 US disclosed
WO-2003035060-A1 INHIBITORS OF SERINE PROTEASE, PARTICULARLY HEPATITIS C VIRUS NS3-NS4A PROTEASE, INCORPORATING A FUSED RING SYSTEM VERTEX PHARMACEUTICALS INCORPORATED (US) 2003-05-01 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (7 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-20090264405-A1 Cetp Inhibitors CETP, APOB, PCSK9 ALDH1A1 3312/4885SMN1; SMN2 4780/4885MAPK1 3196/4885
US-20100331243-A1 ORGANIC COMPOUNDS AND THEIR USES OAT, OTC, AOX1 ALDH1A1 135/4885SMN1; SMN2 877/4885MAPK1 4830/4885
US-20170266167-A1 ERK INHIBITORS MAPK1, MAPK3, MAPK6 ALDH1A1 670/4885SMN1; SMN2 3550/4885MAPK1 1/4885
US-20070286842-A1 Organic Compounds and Their Uses OAT, OTC, AOX1 ALDH1A1 135/4885SMN1; SMN2 877/4885MAPK1 4830/4885
US-20150111873-A1 PHARMACEUTICALLY ACTIVE PYRAZOLO-TRIAZINE DERIVATIVES PAK5, STK35, TESK2 ALDH1A1 2515/4885SMN1; SMN2 2058/4885MAPK1 71/4885
US-20100204159-A1 ORGANIC COMPOUNDS AND THEIR USES OAT, OTC, AOX1 ALDH1A1 135/4885SMN1; SMN2 877/4885MAPK1 4830/4885
US-20160145265-A1 METHOD AND APPARATUS FOR THE SYNTHESIS OF DIHYDROARTEMISININ AND ARTEMISININ DERIVATIVES ADH1A, DHODH, DHPS ALDH1A1 24/4885SMN1; SMN2 2950/4885MAPK1 3424/4885

“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.