SCHEMBL12936616

SCHEMBL12936616

CC(C)OCc1ccc(Cl)cc1F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 4/20 0.38
AGXT P21549 2/20 0.38
CHRNB2 P17787 1/20 0.38
CHRNA4 P43681 1/20 0.38
CYP1A2 P05177 2/20 0.38
CYP2C9 P11712 2/20 0.38
TBXA2R P21731 2/20 0.38
PTGS1 P23219 2/20 0.38
CYP2C19 P33261 2/20 0.38
PTGER1 P34995 2/20 0.38
PTGER3 P43115 2/20 0.38
PTGER2 P43116 2/20 0.38
SLC6A4 P31645 3/20 0.37
SLC6A2 P23975 2/20 0.37
KCNH2 Q12809 2/20 0.37
SLC6A3 Q01959 1/20 0.37
HPD P32754 2/20 0.37
HTR2A P28223 3/20 0.36
TP53 P04637 1/20 0.36
HTR1A P08908 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
SCHEMBL12936612 0.81 IDO1 (0.58) IDO1AGXTSLC6A4SLC6A2SLC6A3
SCHEMBL12668297 0.81 IDO1 (0.58) IDO1CHRNB2CHRNA4CYP1A2CYP2C9
SCHEMBL12936610 0.80 IDO1 (0.39) IDO1AGXTHTR2A
SCHEMBL6505166 0.79 IDO1 (0.41) IDO1AGXTCYP1A2CYP2C9TBXA2R
SCHEMBL19129488 0.79 PYCR1 (0.43) IDO1AGXTHPD
SCHEMBL27358340 0.79 IDO1 (0.38) IDO1AGXTCYP2C9PTGS1CYP2C19
SCHEMBL19712539 0.76 HTR2A (0.37) IDO1SLC6A4SLC6A2KCNH2SLC6A3
SCHEMBL12964490 0.76 IDO1 (0.61) IDO1AGXTSLC6A4SLC6A2SLC6A3
SCHEMBL6505160 0.76 IDO1 (0.41) IDO1AGXTCYP1A2CYP2C9TBXA2R
SCHEMBL13154395 0.76 MC4R (0.40) IDO1SLC6A4SLC6A2KCNH2SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (1 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-20120252027-A1 Method For Rapidly Evaluating Performance Of Short Interfering RNA With Novel Chemical Modifications NSUN2, NSUN3, SNRPE IDO1 2887/4885AGXT 3081/4885CHRNB2 4014/4885

“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.