SCHEMBL18501701

SCHEMBL18501701

CC(C)(C)c1ccc(-c2ccc3occc3c2)cc1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 6/20 0.59
CDK9 P50750 1/20 0.53
CA2 P00918 9/20 0.53
CA12 O43570 8/20 0.53
CHRNB4 P30926 1/20 0.47
CHRNA3 P32297 1/20 0.47
CHRNA7 P36544 1/20 0.47
EPM2A O95278 1/20 0.44
PTPRC P08575 1/20 0.44
PTPN6 P29350 1/20 0.44
CDC14A Q9UNH5 1/20 0.44
PTPN22 Q9Y2R2 1/20 0.44
FFAR1 O14842 1/20 0.43
KIF11 P52732 1/20 0.41

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
SCHEMBL2605170 0.85 EPM2A (0.53) DYRK1ACDK9CA2CA12EPM2A
SCHEMBL28031961 0.82 DYRK1A (0.41) DYRK1ACDK9CA2CA12CHRNB4
Benzene SCHEMBL29028842 0.81 EPM2A (0.50) DYRK1ACDK9CA2CA12EPM2A
SCHEMBL15504108 0.79 DYRK1A (0.65) DYRK1ACDK9CA2CA12CHRNB4
SCHEMBL1602484 0.79 DYRK1A (0.69) DYRK1ACDK9CA2CA12CHRNB4
SCHEMBL27741085 0.76 DYRK1A (0.65) DYRK1ACDK9CA2CA12CHRNB4
SCHEMBL28135391 0.76 DYRK1A (0.65) DYRK1ACDK9CA2CA12CHRNB4
SCHEMBL1492819 0.74 EPM2A (0.50) DYRK1ACDK9CA2CA12EPM2A
SCHEMBL6829643 0.74 DYRK1A (1.00) DYRK1ACDK9CA2CA12CHRNB4
SCHEMBL28275725 0.74 DYRK1A (0.62) DYRK1ACDK9CA2CA12CHRNB4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10301268-B2 Analogs of fexaramine and methods of making and using THE SALK INSTITUTE FOR BIOLOGICAL STUDIES (US) 2019-05-28 US disclosed
US-20180000768-A1 INTESTINAL FXR AGONISM ENHANCES GLP-1 SIGNALING TO RESTORE PANCREATIC BETA CELL FUNCTIONS SALK INSTITUTE FOR BIOLOGICAL STUDIES (US) 2018-01-04 US disclosed
US-9809602-B2 Compounds for treating viral infections INSTITUT PASTEUR KOREA (KR) 2017-11-07 US disclosed
US-20170066724-A1 ANALOGS OF FEXARAMINE AND METHODS OF MAKING AND USING SALK INSTITUTE FOR BIOLOGICAL STUDIES (US) 2017-03-09 US disclosed
US-20170066724-A1 ANALOGS OF FEXARAMINE AND METHODS OF MAKING AND USING SALK INSTITUTE FOR BIOLOGICAL STUDIES (US) 2017-03-09 US disclosed
US-20170044181-A1 COMPOUNDS FOR TREATING VIRAL INFECTIONS INSTITUT PASTEUR KOREA (KR) 2017-02-16 US disclosed
US-20170044181-A1 COMPOUNDS FOR TREATING VIRAL INFECTIONS INSTITUT PASTEUR KOREA (KR) 2017-02-16 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 (4 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-20180000768-A1 INTESTINAL FXR AGONISM ENHANCES GLP-1 SIGNALING TO RESTORE PANCREATIC BETA CELL FUNCTIONS GLP1R, GIPR, FXR1 DYRK1A 756/4885CDK9 4151/4885CA2 2495/4885
US-20170066724-A1 ANALOGS OF FEXARAMINE AND METHODS OF MAKING AND USING FXR2, FXR1, SLC10A2 DYRK1A 1655/4885CDK9 4194/4885CA2 1970/4885
US-10301268-B2 Analogs of fexaramine and methods of making and using FXR2, FXR1, SLC10A2 DYRK1A 1655/4885CDK9 4194/4885CA2 1970/4885
US-20170044181-A1 COMPOUNDS FOR TREATING VIRAL INFECTIONS HAVCR2, MAVS, EIF2AK2 DYRK1A 4847/4885CDK9 2103/4885CA2 4347/4885

“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.