SCHEMBL18878451

SCHEMBL18878451

CC(C)=C1CCCc2occc21

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.39
PKM P14618 1/20 0.39
ALDH1A1 P00352 1/20 0.38
CYP2C19 P33261 1/20 0.38
CYP19A1 P11511 2/20 0.35
TBXAS1 P24557 2/20 0.35
HSD17B10 Q99714 3/20 0.33
POLB P06746 2/20 0.33
GAA P10253 1/20 0.33
KDM4E B2RXH2 2/20 0.32
TSHR P16473 1/20 0.32
ALOX12 P18054 1/20 0.32
HSP90AA1 P07900 1/20 0.32
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL10159219 0.77
SCHEMBL13090140 0.69 MAPT (0.39) MAPTPKMALDH1A1CYP2C19CYP19A1
SCHEMBL333300 0.69 MAPT (0.42) MAPTPKMALDH1A1CYP2C19CYP19A1
SCHEMBL2588817 0.69 MAPT (0.52) MAPTPKMALDH1A1CYP2C19CYP19A1
SCHEMBL10159217 0.69 NPC1 (0.31) PKMHSD17B10
SCHEMBL2588819 0.69 MAPT (0.52) MAPTPKMALDH1A1CYP2C19CYP19A1
SCHEMBL3129135 0.65 HSD17B10 (0.39) MAPTPKMALDH1A1CYP2C19CYP19A1
SCHEMBL10159196 0.64
SCHEMBL6989915 0.63 CYP19A1 (0.52) MAPTPKMALDH1A1CYP2C19CYP19A1
SCHEMBL6989917 0.63 CYP19A1 (0.52) MAPTPKMALDH1A1CYP2C19CYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11236082-B2 EZH2 inhibitors and uses thereof DANA-FARBER CANCER INSTITUTE, INC. (US) 2022-02-01 US disclosed
US-20190192532-A1 COMBINATION THERAPY OF BROMODOMAIN INHIBITORS AND CHECKPOINT BLOCKADE PETER MACCALLUM CANCER INSTITUTE (AU) 2019-06-27 US disclosed
US-10308653-B2 Diazepane derivatives and uses thereof DANA-FARBER CANCER INSTITUTE, INC. (US) 2019-06-04 US disclosed
US-20190000860-A1 USE OF COMPOSITIONS MODULATING CHROMATIN STRUCTURE FOR GRAFT VERSUS HOST DISEASE (GVHD) DANA-FARBER CANCER INSTITUTE, INC. (US) 2019-01-03 US disclosed
US-20180169097-A1 COMBINATION THERAPY OF TRANSCRIPTION INHIBITORS AND KINASE INHIBITORS DANA-FARBER CANCER INSTITUTE, INC. (US) 2018-06-21 US disclosed
US-9951074-B2 Dihydropteridinone derivatives and uses thereof DANA-FARBER CANCER INSTITUTE, INC. (US) 2018-04-24 US disclosed
US-9951074-B2 Dihydropteridinone derivatives and uses thereof DANA-FARBER CANCER INSTITUTE, INC. (US) 2018-04-24 US disclosed
US-20170145023-A1 DIAZEPANE DERIVATIVES AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2017-05-25 US disclosed
US-20170145023-A1 DIAZEPANE DERIVATIVES AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2017-05-25 US disclosed
US-20170145013-A1 DIHYDROPTERIDINONE DERIVATIVES AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2017-05-25 US disclosed
US-20170145013-A1 DIHYDROPTERIDINONE DERIVATIVES AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2017-05-25 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 (7 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-20190000860-A1 USE OF COMPOSITIONS MODULATING CHROMATIN STRUCTURE FOR GRAFT VERSUS HOST DISEASE (GVHD) BCL6, BCL6B, EZH2 MAPT 4007/4885PKM 4276/4885ALDH1A1 4211/4885
US-10308653-B2 Diazepane derivatives and uses thereof BRDT, BRD4, BAZ2A MAPT 3357/4885PKM 2939/4885ALDH1A1 3052/4885
US-20180169097-A1 COMBINATION THERAPY OF TRANSCRIPTION INHIBITORS AND KINASE INHIBITORS CHUK, BCOR, MYC MAPT 3025/4885PKM 1365/4885ALDH1A1 3413/4885
US-20190192532-A1 COMBINATION THERAPY OF BROMODOMAIN INHIBITORS AND CHECKPOINT BLOCKADE BRD4, BRD3, BRPF3 MAPT 2608/4885PKM 3586/4885ALDH1A1 3317/4885
US-20170145013-A1 DIHYDROPTERIDINONE DERIVATIVES AND USES THEREOF BRDT, BRD4, BRD3 MAPT 3666/4885PKM 3481/4885ALDH1A1 2824/4885
US-11236082-B2 EZH2 inhibitors and uses thereof EZH2, EZH1, BMI1 MAPT 3296/4885PKM 2043/4885ALDH1A1 1655/4885
US-20170145023-A1 DIAZEPANE DERIVATIVES AND USES THEREOF BRDT, BRD4, BAZ2A MAPT 3357/4885PKM 2939/4885ALDH1A1 3052/4885

“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.