SCHEMBL3397901

SCHEMBL3397901

COCCOCCOS(=O)(=O)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.46
ALDH1A1 P00352 4/20 0.43
CA2 P00918 2/20 0.40
TSHR P16473 2/20 0.40
PARL Q9H300 1/20 0.40
PSIP1 O75475 1/20 0.39
RECQL P46063 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
HPGD P15428 2/20 0.38
PABPC1 P11940 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HSD17B10 Q99714 1/20 0.38
LMNA P02545 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA4 P22748 1/20 0.38
CA5A P35218 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38

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
SCHEMBL20745410 1.00 MAPK1 (0.46) MAPK1ALDH1A1CA2TSHRPARL
SCHEMBL12882875 1.00 MAPK1 (0.46) MAPK1ALDH1A1CA2TSHRPARL
SCHEMBL28319664 1.00 MAPK1 (0.46) MAPK1ALDH1A1CA2TSHRPARL
SCHEMBL3911054 0.94 MAPK1 (0.50) MAPK1ALDH1A1CA2TSHRPARL
SCHEMBL30011527 0.91 ALDH1A1 (0.50) MAPK1ALDH1A1CA2TSHRPARL
SCHEMBL3449015 0.84 PARL (0.50) MAPK1ALDH1A1CA2TSHRPARL
SCHEMBL25398474 0.84 ALDH1A1 (0.47) ALDH1A1CA2HPGDLMNACA12
SCHEMBL22262524 0.84 ALDH1A1 (0.47) ALDH1A1CA2HPGDLMNACA12
SCHEMBL1218220 0.84 ALDH1A1 (0.47) ALDH1A1CA2HPGDLMNACA12
SCHEMBL21877144 0.84 ALDH1A1 (0.47) ALDH1A1CA2HPGDLMNACA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2247596-A2 NOVEL PYRAZOLO [3, 4 -D] PYRIMIDINE DERIVATIVES AS ANTI -CANCER AGENTS Natco Pharma Limited (IN) 2010-11-10 EP claimed
WO-2009098715-A2 NOVEL PYRAZOLO [3, 4 -D] PYRIMIDINE DERIVATIVES AS ANTI -CANCER AGENTS NATCO PHARMA LIMITED (IN) 2009-08-13 WO claimed
US-20180086793-A1 IMMUNOMODULATORS BRISTOL MYERS SQUIBB CO (US) 2018-03-29 US disclosed
EP-2794813-B1 LIGHT EMITTING COMPOSITION AND DEVICE CAMBRIDGE DISPLAY TECH LTD (GB) 2016-09-07 EP disclosed
US-20140346486-A1 LIGHT EMITTING COMPOSITION AND DEVICE CAMBRIDGE DISPLAY TECHNOLOGY LIMITED (GB) 2014-11-27 US disclosed
US-20140346486-A1 LIGHT EMITTING COMPOSITION AND DEVICE CAMBRIDGE DISPLAY TECHNOLOGY LIMITED (GB) 2014-11-27 US disclosed
WO-2013093400-A1 LIGHT EMITTING COMPOSITION AND DEVICE CAMBRIDGE DISPLAY TECHNOLOGY LIMITED (GB) 2013-06-27 WO disclosed
US-8349847-B2 Pyrazolo [3,4-D] pyrimidine derivatives as anti-cancer agents KONAKANCHI DURGA PRASAD (IN) 2013-01-08 US disclosed
US-8349847-B2 Pyrazolo [3,4-D] pyrimidine derivatives as anti-cancer agents KONAKANCHI DURGA PRASAD (IN) 2013-01-08 US disclosed
US-8349847-B2 Pyrazolo [3,4-D] pyrimidine derivatives as anti-cancer agents KONAKANCHI DURGA PRASAD (IN) 2013-01-08 US disclosed
US-20100298351-A1 NOVEL PYRAZOLO [3, 4 -D] PYRIMIDINE DERIVATIVES AS ANTI-CANCER AGENTS NATCO PHARMA LIMITED (IN) 2010-11-25 US disclosed
US-20100298351-A1 NOVEL PYRAZOLO [3, 4 -D] PYRIMIDINE DERIVATIVES AS ANTI-CANCER AGENTS NATCO PHARMA LIMITED (IN) 2010-11-25 US disclosed
US-20100298351-A1 NOVEL PYRAZOLO [3, 4 -D] PYRIMIDINE DERIVATIVES AS ANTI-CANCER AGENTS NATCO PHARMA LIMITED (IN) 2010-11-25 US disclosed
EP-2247596-A2 NOVEL PYRAZOLO [3, 4 -D] PYRIMIDINE DERIVATIVES AS ANTI -CANCER AGENTS Natco Pharma Limited (IN) 2010-11-10 EP disclosed
WO-2009098715-A2 NOVEL PYRAZOLO [3, 4 -D] PYRIMIDINE DERIVATIVES AS ANTI -CANCER AGENTS NATCO PHARMA LIMITED (IN) 2009-08-13 WO disclosed
WO-2009098715-A2 NOVEL PYRAZOLO [3, 4 -D] PYRIMIDINE DERIVATIVES AS ANTI -CANCER AGENTS NATCO PHARMA LIMITED (IN) 2009-08-13 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-20180086793-A1 IMMUNOMODULATORS CD74, ICOS, HAVCR2 MAPK1 4504/4885ALDH1A1 1217/4885CA2 4758/4885
US-20100298351-A1 NOVEL PYRAZOLO [3, 4 -D] PYRIMIDINE DERIVATIVES AS ANTI-CANCER AGENTS DPYD, TYMP, TYMS MAPK1 1052/4885ALDH1A1 309/4885CA2 3477/4885

“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.