SCHEMBL3597779

SCHEMBL3597779

CC(C)(C)OC(=O)Cn1ccc2ccccc21

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.59
ALDH1A1 P00352 2/20 0.48
KDM4E B2RXH2 1/20 0.48
MAPK1 P28482 2/20 0.48
LMNA P02545 1/20 0.48
CDK4 P11802 4/20 0.47
CCND1 P24385 4/20 0.47
NTSR1 P30989 1/20 0.46
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C19 P33261 1/20 0.45
IDO1 P14902 1/20 0.44
MEN1 O00255 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HTR2A P28223 1/20 0.43
HTR2C P28335 1/20 0.43
NOTUM Q6P988 1/20 0.42

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
SCHEMBL30229742 1.00 KMT2A (0.59) KMT2AALDH1A1KDM4EMAPK1LMNA
SCHEMBL3596244 0.85 LMNA (0.60) KMT2AALDH1A1MAPK1LMNACDK4
SCHEMBL5336099 0.83 KMT2A (0.65) KMT2AALDH1A1KDM4EMAPK1LMNA
SCHEMBL29827118 0.83 KMT2A (0.65) KMT2AALDH1A1KDM4EMAPK1LMNA
SCHEMBL5023905 0.81 MCL1 (0.41) KMT2AALDH1A1KDM4ELMNACYP3A4
SCHEMBL15076008 0.81 KDM4E (0.63) KMT2AALDH1A1KDM4ELMNAMEN1
SCHEMBL6190976 0.81 HDAC8 (0.54) KMT2AMAPK1LMNA
SCHEMBL25338022 0.80 HTR7 (0.44) ALDH1A1KDM4ENTSR1SMN1; SMN2
SCHEMBL7214258 0.80 FLT1 (0.44) KMT2AALDH1A1KDM4ENTSR1
SCHEMBL23810852 0.80 NTSR1 (0.51) NTSR1HTR2AHTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105816453-B Substituted tricyclic acid derivatives as S1P1 receptor agonists for the treatment of autoimmune and inflammatory disorders 艾尼纳制药公司 2021-03-05 CN disclosed
EP-2593425-B1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHOD OF USE AGIOS PHARMACEUTICALS INC (US) 2018-10-17 EP disclosed
CN-103097340-B Therapeutically active compositions and methods of use thereof 安吉奥斯医药品有限公司 2018-03-16 CN disclosed
EP-2813502-B1 Bradykinin receptor antagonists and pharmaceutical compositions containing them DOMPÉ FARM S P A (IT) 2017-01-04 EP disclosed
US-20160264621-A1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHODS OF USE AGIOS PHARMACEUTICALS, INC (US) 2016-09-15 US disclosed
US-20160264621-A1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHODS OF USE AGIOS PHARMACEUTICALS, INC (US) 2016-09-15 US disclosed
US-20160264621-A1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHODS OF USE AGIOS PHARMACEUTICALS, INC (US) 2016-09-15 US disclosed
US-9409876-B2 Bradykinin receptor antagonists and pharmaceutical compositions containing them DOMPE' FARMACEUTICI S.P.A. (IT) 2016-08-09 US disclosed
US-20140371274-A1 BRADYKININ RECEPTOR ANTAGONISTS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DOMPE' FARMACEUTICI S.P.A. (IT) 2014-12-18 US disclosed
EP-2813502-A1 Bradykinin receptor antagonists and pharmaceutical compositions containing them Dompe' S.p.A. (IT) 2014-12-17 EP disclosed
US-20130184222-A1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHODS OF USE AGIOS PHARMACEUTICALS, INC (US) 2013-07-18 US disclosed
CN-103097340-A Therapeutically active compositions and methods of use thereof AGIOS PHARMACEUTICALS INC 2013-05-08 CN disclosed
WO-2012009678-A1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHOD OF USE AGIOS PHARMACEUTICALS, INC. (US) 2012-01-19 WO disclosed
US-20100190768-A1 NOVEL FUSED PYROLE DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2010-07-29 US disclosed
EP-1930320-A1 NOVEL FUSED PYRROLE DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2008-06-11 EP disclosed
US-7348351-B2 Substituted 3-alkyl and 3-arylalkyl 1H-indol-1yl acetic acid derivatives as inhibitors of plasminogen activator inhibitor-1 (PAI-1) WYETH (US) 2008-03-25 US disclosed
US-7348351-B2 Substituted 3-alkyl and 3-arylalkyl 1H-indol-1yl acetic acid derivatives as inhibitors of plasminogen activator inhibitor-1 (PAI-1) WYETH (US) 2008-03-25 US disclosed
WO-2007001335-A2 RAMOPLANIN DERIVATIVES POSSESSING ANTIBACTERIAL ACTIVITY VICURON PHARMACEUTICALS INC. (US) 2007-01-04 WO disclosed
US-20060211603-A1 Ramoplanin derivatives possessing antibacterial activity VICURON PHARMACEUTICALS INC. (US) 2006-09-21 US disclosed
WO-2004052853-A2 SUBSTITUTED 3-ALKYL AND 3-ARYLALKYL 1H-INDOL-1-YL ACETIC ACID DERIVATIVES AS INHIBITORS OF PLASMINOGEN ACTIVATOR INHIBITOR-1 (PAI-1) WYETH (US) 2004-06-24 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 (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-20130184222-A1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHODS OF USE IDH1, IDH3B, IDH3A KMT2A 234/4885ALDH1A1 597/4885KDM4E 669/4885
US-20060211603-A1 Ramoplanin derivatives possessing antibacterial activity CLSPN, LMAN2, RPN2 KMT2A 4422/4885ALDH1A1 2972/4885KDM4E 4305/4885
US-20140371274-A1 BRADYKININ RECEPTOR ANTAGONISTS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM BDKRB1, BDKRB2, EDNRB KMT2A 3540/4885ALDH1A1 4192/4885KDM4E 4294/4885
US-20100190768-A1 NOVEL FUSED PYROLE DERIVATIVE NR3C1, NR3C2, NR0B1 KMT2A 4721/4885ALDH1A1 4118/4885KDM4E 1967/4885
US-20160264621-A1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHODS OF USE IDH1, IDH3B, IDH3A KMT2A 234/4885ALDH1A1 597/4885KDM4E 669/4885

“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.