SCHEMBL12936611

SCHEMBL12936611

CC(C)OCc1c(F)cccc1F

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 2/20 0.37
MMP2 P08253 2/20 0.37
MMP9 P14780 1/20 0.37
MMP12 P39900 1/20 0.37
ALDH1A1 P00352 3/20 0.36
KDM4E B2RXH2 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TAAR1 Q96RJ0 1/20 0.35
IDO1 P14902 3/20 0.35
ADORA2A P29274 1/20 0.34
GAA P10253 1/20 0.33
KMT2A Q03164 2/20 0.33
HPGD P15428 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MEN1 O00255 1/20 0.33
ATM Q13315 1/20 0.33
PTPN1 P18031 1/20 0.33
FFAR4 Q5NUL3 1/20 0.32

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
SCHEMBL13760531 0.88 ACHE (0.40) ALDH1A1KDM4ESMN1; SMN2TAAR1ADORA2A
SCHEMBL18184978 0.87 ADORA2A (0.36) ALDH1A1KDM4ESMN1; SMN2TAAR1IDO1
SCHEMBL18371893 0.87 TAAR1 (0.50) ALDH1A1SMN1; SMN2TAAR1GAAKMT2A
SCHEMBL18371909 0.84 SLC6A2 (0.44) SMN1; SMN2TAAR1IDO1
SCHEMBL18185028 0.80 TDP1 (0.41) ALDH1A1SMN1; SMN2KMT2AHPGDMEN1
SCHEMBL5172388 0.77 MMP1 (0.41) MMP1MMP2MMP9MMP12ALDH1A1
SCHEMBL6633456 0.77 MMP1 (0.41) MMP1MMP2MMP9MMP12ALDH1A1
SCHEMBL10314840 0.77 IDO1 (0.55) ALDH1A1KDM4ETAAR1IDO1
SCHEMBL6640788 0.76 MMP1 (0.40) MMP1MMP2MMP9MMP12ALDH1A1
SCHEMBL4803195 0.76 MMP1 (0.34) MMP1MMP2MMP9MMP12ALDH1A1

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 MMP1 3910/4885MMP2 3829/4885MMP9 4530/4885

“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.