SCHEMBL7920082

SCHEMBL7920082

COc1ccc2c(OC(C)(C)C)cc(-c3ccccc3)nc2c1

nearest known ligand 0.78

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.78
SMN1; SMN2 Q16637 3/20 0.78
ALDH1A1 P00352 2/20 0.78
MEN1 O00255 1/20 0.63
KMT2A Q03164 1/20 0.63
LMNA P02545 2/20 0.59
HPGD P15428 2/20 0.59
MAPT P10636 1/20 0.59
HTT P42858 1/20 0.59
TACR3 P29371 8/20 0.55
ACACA Q13085 1/20 0.52
AURKA O14965 1/20 0.50
AURKB Q96GD4 1/20 0.50
SYK P43405 1/20 0.49
PLA2G2A P14555 1/20 0.49
ABCB1 P08183 1/20 0.48
ABCG2 Q9UNQ0 1/20 0.48
ACP1 P24666 1/20 0.47

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
SCHEMBL12736407 0.92 KDM4E (0.64) KDM4ESMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL16098101 0.88 KDM4E (0.77) KDM4ESMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL6913447 0.88 KDM4E (1.00) KDM4ESMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL12736408 0.87 KDM4E (0.59) KDM4ESMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL12863748 0.87 KDM4E (0.58) KDM4ESMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL12736560 0.85 SMN1; SMN2 (0.59) KDM4ESMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL8381387 0.82 KDM4E (0.78) KDM4ESMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL8349539 0.82 KDM4E (0.78) KDM4ESMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL12744586 0.81 KDM4E (0.68) KDM4ESMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL374734 0.81 KDM4E (0.72) KDM4ESMN1; SMN2ALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7893264-B2 viricides comprising phosphinic acid compounds and/or mixed with carriers, nucleoside analogues, interferons or pegylated interferons; treating hepatitis C or a hepatitis C associated disorders in animals; side effect reduction GILEAD SCIENCES, INC. (US) 2011-02-22 US disclosed
US-20100240638-A1 Organic Compounds and their uses NOVARTIS AG (CH) 2010-09-23 US disclosed
US-20100240638-A1 Organic Compounds and their uses NOVARTIS AG (CH) 2010-09-23 US disclosed
US-20090227491-A1 ANTIVIRAL PHOSPHINATE COMPOUNDS GILEAD SCIENCES, INC. (US) 2009-09-10 US disclosed
US-20080287449-A1 AZA-TRIPEPTIDE HEPATITIS C SERINE PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. 2008-11-20 US disclosed
US-20080267917-A1 N-FUNCTIONALIZED AMIDES AS HEPATITIS C SERINE PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. 2008-10-30 US disclosed
US-20080267917-A1 N-FUNCTIONALIZED AMIDES AS HEPATITIS C SERINE PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. 2008-10-30 US disclosed
US-20080057031-A1 Antiviral phosphinate compounds GILEAD SCIENCES, INC. (US) 2008-03-06 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 (5 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-20080057031-A1 Antiviral phosphinate compounds PHOSPHO1, MAVS, ITPA KDM4E 2173/4885SMN1; SMN2 1818/4885ALDH1A1 4695/4885
US-20100240638-A1 Organic Compounds and their uses OAT, HAVCR2, CYP3A43 KDM4E 3330/4885SMN1; SMN2 4331/4885ALDH1A1 302/4885
US-20090227491-A1 ANTIVIRAL PHOSPHINATE COMPOUNDS PHOSPHO1, MAVS, ITPA KDM4E 2173/4885SMN1; SMN2 1818/4885ALDH1A1 4695/4885
US-20080267917-A1 N-FUNCTIONALIZED AMIDES AS HEPATITIS C SERINE PROTEASE INHIBITORS PRSS1, HPN, SPINT2 KDM4E 1232/4885SMN1; SMN2 2794/4885ALDH1A1 628/4885
US-20080287449-A1 AZA-TRIPEPTIDE HEPATITIS C SERINE PROTEASE INHIBITORS CTSC, DPP4, ANPEP KDM4E 425/4885SMN1; SMN2 3278/4885ALDH1A1 1444/4885

“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.