SCHEMBL18878429

SCHEMBL18878429

CCOC(=O)c1ccc(-c2ccc(C(C)C)o2)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.66
RAB9A P51151 8/20 0.66
NPC1 O15118 7/20 0.66
SMN1; SMN2 Q16637 6/20 0.66
KDM4E B2RXH2 5/20 0.66
ALDH1A1 P00352 4/20 0.66
HPGD P15428 4/20 0.66
CYP1A2 P05177 2/20 0.66
CYP2C9 P11712 1/20 0.66
CYP2C19 P33261 1/20 0.66
HSP90AA1 P07900 1/20 0.64
STAT1 P42224 1/20 0.51
TNKS O95271 1/20 0.51
CA12 O43570 2/20 0.50
CA1 P00915 2/20 0.50
CA2 P00918 2/20 0.50
CA7 P43166 2/20 0.50
CA9 Q16790 2/20 0.50
CA14 Q9ULX7 2/20 0.50
ESR1 P03372 1/20 0.50

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
SCHEMBL7876090 0.86 MAPT (0.63) MAPTRAB9ANPC1SMN1; SMN2KDM4E
SCHEMBL18885210 0.83 MAPT (0.71) MAPTRAB9ANPC1SMN1; SMN2KDM4E
SCHEMBL21143527 0.81 MAPT (0.68) MAPTRAB9ANPC1SMN1; SMN2KDM4E
SCHEMBL20621396 0.81 MAPT (0.81) MAPTRAB9ANPC1SMN1; SMN2KDM4E
SCHEMBL20349057 0.78 MAPT (0.77) MAPTRAB9ANPC1SMN1; SMN2KDM4E
SCHEMBL3068729 0.78 MAPT (0.64) MAPTRAB9ANPC1SMN1; SMN2KDM4E
SCHEMBL1787240 0.78 MAPT (1.00) MAPTRAB9ANPC1SMN1; SMN2KDM4E
SCHEMBL5203063 0.77 MAPT (0.63) MAPTRAB9ANPC1SMN1; SMN2KDM4E
SCHEMBL1965326 0.77 CA1 (0.73) MAPTRAB9ANPC1SMN1; SMN2KDM4E
SCHEMBL16351874 0.77 CA1 (0.73) MAPTRAB9ANPC1SMN1; SMN2KDM4E

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 10 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-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 (6 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-10308653-B2 Diazepane derivatives and uses thereof BRDT, BRD4, BAZ2A MAPT 3357/4885RAB9A 2854/4885NPC1 3041/4885
US-20180169097-A1 COMBINATION THERAPY OF TRANSCRIPTION INHIBITORS AND KINASE INHIBITORS CHUK, BCOR, MYC MAPT 3025/4885RAB9A 3926/4885NPC1 3227/4885
US-20190192532-A1 COMBINATION THERAPY OF BROMODOMAIN INHIBITORS AND CHECKPOINT BLOCKADE BRD4, BRD3, BRPF3 MAPT 2608/4885RAB9A 3559/4885NPC1 4684/4885
US-20170145013-A1 DIHYDROPTERIDINONE DERIVATIVES AND USES THEREOF BRDT, BRD4, BRD3 MAPT 3666/4885RAB9A 2977/4885NPC1 3304/4885
US-11236082-B2 EZH2 inhibitors and uses thereof EZH2, EZH1, BMI1 MAPT 3296/4885RAB9A 1703/4885NPC1 1216/4885
US-20170145023-A1 DIAZEPANE DERIVATIVES AND USES THEREOF BRDT, BRD4, BAZ2A MAPT 3357/4885RAB9A 2854/4885NPC1 3041/4885

“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.