SCHEMBL12936612

SCHEMBL12936612

CC(C)OCc1ccc(F)cc1F

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 3/20 0.58
AGXT P21549 2/20 0.58
MAOB P27338 1/20 0.46
KDM4E B2RXH2 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
SLC6A4 P31645 2/20 0.39
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
GSK3B P49841 2/20 0.39
BACE1 P56817 2/20 0.39
SLC6A2 P23975 1/20 0.38
SLC6A3 Q01959 1/20 0.38
MAPK14 Q16539 4/20 0.37
HTR6 P50406 1/20 0.36
PTPN1 P18031 1/20 0.36
MME P08473 1/20 0.36
ACE P12821 1/20 0.36
CPA1 P15085 1/20 0.36
ACE2 Q9BYF1 1/20 0.36
RIPK1 Q13546 1/20 0.36

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
SCHEMBL12222721 0.85 HTR2C (0.41) IDO1AGXTSLC6A4HTR2AHTR2C
SCHEMBL12936610 0.83 IDO1 (0.39) IDO1AGXTMAOBKDM4EHTR2A
SCHEMBL12936616 0.81 IDO1 (0.38) IDO1AGXTSLC6A4HTR2ASLC6A2
SCHEMBL19129488 0.81 PYCR1 (0.43) IDO1AGXTPTPN1
SCHEMBL27358340 0.81 IDO1 (0.38) IDO1AGXTMAOBSLC6A4HTR2A
SCHEMBL17069255 0.81 L3MBTL1 (0.44) IDO1AGXTSMN1; SMN2SLC6A4HTR2A
SCHEMBL21286173 0.79 IDO1 (0.63) IDO1SLC6A4HTR2ASLC6A2SLC6A3
SCHEMBL12964490 0.79 IDO1 (0.61) IDO1AGXTSLC6A4HTR2AHTR2C
SCHEMBL19075445 0.78 IDO1 (0.55) IDO1AGXTMAOBKDM4ESMN1; SMN2
SCHEMBL706473 0.78 IDO1 (0.64) IDO1AGXTMAOBKDM4ESMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220144829-A1 AMINO ACID COMPOUNDS AND METHODS OF USE PLIANT THERAPEUTICS, INC. 2022-05-12 US disclosed
US-20200109141-A1 AMINO ACID COMPOUNDS AND METHODS OF USE PLIANT THERAPEUTICS, INC. 2020-04-09 US disclosed
US-9512426-B2 Method for rapidly evaluating performance of short interfering RNA with novel chemical modifications SIRNA THERAPEUTICS, INC. (US) 2016-12-06 US disclosed
US-20150132761-A1 METHOD FOR RAPIDLY EVALUATING PERFORMANCE OF SHORT INTERFERING RNA WITH NOVEL CHEMICAL MODIFICATIONS BANK OF AMERICA, N.A. 2015-05-14 US disclosed
US-8877439-B2 Method for rapidly evaluating performance of short interfering RNA with novel chemical modifications SIRNA THERAPEUTICS, INC. (US) 2014-11-04 US disclosed
US-20120252027-A1 Method For Rapidly Evaluating Performance Of Short Interfering RNA With Novel Chemical Modifications BANK OF AMERICA, N.A. 2012-10-04 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 (3 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-20220144829-A1 AMINO ACID COMPOUNDS AND METHODS OF USE ITGB6, ITGA1, ITGAL IDO1 1285/4885AGXT 328/4885MAOB 4500/4885
US-20200109141-A1 AMINO ACID COMPOUNDS AND METHODS OF USE ITGB6, ITGA1, ITGAL IDO1 1285/4885AGXT 328/4885MAOB 4500/4885
US-20120252027-A1 Method For Rapidly Evaluating Performance Of Short Interfering RNA With Novel Chemical Modifications NSUN2, NSUN3, SNRPE IDO1 2887/4885AGXT 3081/4885MAOB 3133/4885

“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.