SCHEMBL10062651

SCHEMBL10062651

O=C1OC(=O)C2C3CCC(C4CC43)C12

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.48
▸ GMNN O75496 1/20 0.48
▸ PPM1B O75688 1/20 0.48
▸ LMNA P02545 1/20 0.48
▸ PPP1CC P36873 1/20 0.48
▸ TFPI2 P48307 1/20 0.48
▸ RAB9A P51151 1/20 0.48
▸ PPP5C P53041 1/20 0.48
▸ PPP1CA P62136 1/20 0.48
▸ PMP22 Q01453 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ TDP1 Q9NUW8 1/20 0.48
▸ TP53 P04637 1/20 0.48
▸ CYP2D6 P10635 1/20 0.48
▸ NFKB1 P19838 1/20 0.48
▸ THPO P40225 1/20 0.48

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
SCHEMBL3187149 1.00 KDM4E (0.48) KDM4EGMNNPPM1BLMNAPPP1CC
SCHEMBL18724559 1.00 KDM4E (0.48) KDM4EGMNNPPM1BLMNAPPP1CC
SCHEMBL10029250 1.00 KDM4E (0.48) KDM4EGMNNPPM1BLMNAPPP1CC
SCHEMBL3187147 1.00 KDM4E (0.48) KDM4EGMNNPPM1BLMNAPPP1CC
SCHEMBL13483332 0.89 KDM4E (0.46) KDM4EGMNNPPM1BLMNAPPP1CC
SCHEMBL13483328 0.89 KDM4E (0.46) KDM4EGMNNPPM1BLMNAPPP1CC
SCHEMBL6746009 0.89 KDM4E (0.46) KDM4EGMNNPPM1BLMNAPPP1CC
SCHEMBL6746008 0.89 KDM4E (0.46) KDM4EGMNNPPM1BLMNAPPP1CC
SCHEMBL3190481 0.89 KDM4E (0.46) KDM4EGMNNPPM1BLMNAPPP1CC
SCHEMBL3190490 0.89 KDM4E (0.46) KDM4EGMNNPPM1BLMNAPPP1CC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017133667-A1 PYRIMIDINE AND PYRIDINE DERIVATIVES AND USE IN TREATMENT, AMELIORATION OR PREVENTION OF INFLUENZA THEREOF SAVIRA PHARMACEUTICALS GMBH (AT) 2017-08-10 — — WO disclosed
US-20170153549-A1 SILICON-CONTAINING RESIST UNDERLAYER FILM-FORMING COMPOSITION HAVING ORGANIC GROUP HAVING ALIPHATIC POLYCYCLIC STRUCTURE NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2017-06-01 — — US disclosed
US-20170153549-A1 SILICON-CONTAINING RESIST UNDERLAYER FILM-FORMING COMPOSITION HAVING ORGANIC GROUP HAVING ALIPHATIC POLYCYCLIC STRUCTURE NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2017-06-01 — — US disclosed
US-8124643-B2 Compounds, compositions and methods for treatment and prevention of orthopoxvirus infections and associated diseases SIGA TECHNOLOGIES, INC. (US) 2012-02-28 — — US disclosed
US-20120020922-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATMENT AND PREVENTION OF ORTHOPOXVIRUS INFECTIONS AND ASSOCIATED DISEASES SIGA TECHNOLOGIES INC. (US) 2012-01-26 — — US disclosed
US-7956197-B2 Compounds, compositions and methods for treatment and prevention of orthopoxvirus infections and associated diseases SIGA TECHNOLOGIES, INC. (US) 2011-06-07 — — US disclosed
US-20110009456-A1 Compounds, Compositions and Methods for Treatment and Prevention of Orthopoxvirus Infections and Associated Diseases SIGA TECHNOLOGIES INC. (US) 2011-01-13 — — US disclosed
US-20100227892-A1 Compounds, Compositions and Methods for Treatment and Prevention of Orthopoxvirus Infections and Associated Diseases SIGA TECHNOLOGIES INC. (US) 2010-09-09 — — US disclosed
US-7737168-B2 Compounds, compositions, and methods for treatment and prevention of orthopoxvirus infections and associated diseases SIGA TECHNOLOGIES, INC. (US) 2010-06-15 — — 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 (3 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-20100227892-A1 Compounds, Compositions and Methods for Treatment and Prevention of Orthopoxvirus Infections and Associated Diseases OTC, FAHD1, VAC14 KDM4E 3277/4885GMNN 2721/4885PPM1B 85/4885
US-20110009456-A1 Compounds, Compositions and Methods for Treatment and Prevention of Orthopoxvirus Infections and Associated Diseases OTC, FAHD1, VAC14 KDM4E 3277/4885GMNN 2721/4885PPM1B 85/4885
US-20120020922-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATMENT AND PREVENTION OF ORTHOPOXVIRUS INFECTIONS AND ASSOCIATED DISEASES OTC, FAHD1, VAC14 KDM4E 3277/4885GMNN 2721/4885PPM1B 85/4885

“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.

Send feedback