SCHEMBL5424752

SCHEMBL5424752

COc1c(C)c(CO)c(OC)c2ccccc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.52
ALDH1A1 P00352 2/20 0.52
MAPK1 P28482 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
CYP1A2 P05177 2/20 0.42
CYP2C9 P11712 1/20 0.42
IDO1 P14902 1/20 0.42
SLC2A1 P11166 1/20 0.42
CA2 P00918 1/20 0.38
CA4 P22748 1/20 0.38
POLB P06746 1/20 0.38
PDCD1 Q15116 2/20 0.35
CD274 Q9NZQ7 2/20 0.35
PDE5A O76074 3/20 0.35
PDE4A P27815 3/20 0.35
PDE1A P54750 3/20 0.35
PDE1B Q01064 3/20 0.35
PDE4B Q07343 3/20 0.35
PDE4C Q08493 3/20 0.35
PDE4D Q08499 3/20 0.35

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
SCHEMBL14896143 0.84 KDM4E (0.47) KDM4EALDH1A1MAPK1SMN1; SMN2CYP1A2
SCHEMBL11096547 0.82 KDM4E (0.45) KDM4EALDH1A1MAPK1SMN1; SMN2CYP1A2
SCHEMBL22778205 0.81 KDM4E (0.52) KDM4EALDH1A1MAPK1SMN1; SMN2CYP1A2
Hydrochloric Acid SCHEMBL22778178 0.81 KDM4E (0.52) KDM4EALDH1A1MAPK1SMN1; SMN2CYP1A2
SCHEMBL29525638 0.81 KDM4E (0.52) KDM4EALDH1A1MAPK1SMN1; SMN2CYP1A2
SCHEMBL9736640 0.81 KDM4E (0.52) KDM4EALDH1A1MAPK1SMN1; SMN2CYP1A2
SCHEMBL14895908 0.80 KDM4E (0.42) KDM4EALDH1A1MAPK1SMN1; SMN2CYP1A2
SCHEMBL5420314 0.79 KDM4E (0.50) KDM4EALDH1A1MAPK1SMN1; SMN2CYP1A2
SCHEMBL3739184 0.79 CA2 (0.55) KDM4EALDH1A1MAPK1SMN1; SMN2CYP1A2
Hydrochloric Acid SCHEMBL22778176 0.79 KDM4E (0.50) KDM4EALDH1A1MAPK1SMN1; SMN2CYP1A2

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-7304046-B2 Phosphoramide compounds PURDUE RESEARCH FOUNDATION (US) 2007-12-04 US disclosed
US-7304046-B2 Phosphoramide compounds PURDUE RESEARCH FOUNDATION (US) 2007-12-04 US disclosed
US-7304046-B2 Phosphoramide compounds PURDUE RESEARCH FOUNDATION (US) 2007-12-04 US disclosed
US-20040176332-A1 Phosphoramide compounds PURDUE RESEARCH FOUNDATION 2004-09-09 US disclosed
US-6656926-B2 For therapy and prophylaxis of cancer PURDUE RESEARCH FOUNDATION 2003-12-02 US disclosed
US-20030008850-A1 For therapy and prophylaxis of cancer NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2003-01-09 US disclosed
WO-2001004130-A1 PHOSPHORAMIDE COMPOUNDS PURDUE RESEARCH FOUNDATION (US) 2001-01-18 WO disclosed
US-5229385-A Thromboxane A2 and lipoxygenase inhibitors TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1993-07-20 US disclosed
US-5106858-A For disfunction of heart, brain, lung or kidney TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1992-04-21 US disclosed
EP-0234729-B1 QUINONE DERIVATIVES, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1991-12-27 EP disclosed
US-4985447-A USEFUL FOR TREATMENT AND PREVENTION OF DISEASES DUE TO DYSFUNCTION OF HEART, BRAIN, LUNG AND KIDNEY TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1991-01-15 US disclosed
US-4851413-A TREATMENT OF HEART, BRAIN, LUNG OR KIDNEY DISORDERS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1989-07-25 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 (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-20040176332-A1 Phosphoramide compounds RB1, RRM2B, RRM1 KDM4E 3140/4885ALDH1A1 1067/4885MAPK1 1681/4885
US-20030008850-A1 For therapy and prophylaxis of cancer BRCA1, RRM2B, FOLR1 KDM4E 3105/4885ALDH1A1 27/4885MAPK1 2975/4885

“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.