SCHEMBL11214531

SCHEMBL11214531

CC(C)OCc1cccc([N+](=O)[O-])c1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.56
MAOB P27338 3/20 0.53
MAOA P21397 1/20 0.53
ALDH1A1 P00352 4/20 0.51
KDM4E B2RXH2 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
CYP2D6 P10635 2/20 0.50
CYP2C9 P11712 2/20 0.50
CYP2C19 P33261 2/20 0.50
RECQL P46063 1/20 0.50
LMNA P02545 1/20 0.50
FFAR1 O14842 1/20 0.49
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
CYP1A2 P05177 1/20 0.49
MAPT P10636 2/20 0.48
ACHE P22303 1/20 0.47
ALOX15 P16050 1/20 0.47
CA12 O43570 1/20 0.47

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
SCHEMBL3705262 0.84 TSHR (0.56) TSHRMAOBMAOAALDH1A1KDM4E
SCHEMBL791926 0.83 TSHR (0.62) TSHRMAOBMAOAALDH1A1CYP2D6
SCHEMBL6632275 0.82 MAOB (0.52) TSHRMAOBMAOAALDH1A1KDM4E
SCHEMBL7554063 0.82 TSHR (0.54) TSHRMAOBMAOAALDH1A1KDM4E
SCHEMBL1767329 0.81 TSHR (0.65) TSHRMAOBMAOAALDH1A1KDM4E
SCHEMBL28008405 0.80 TSHR (0.59) TSHRMAOBMAOAALDH1A1KDM4E
SCHEMBL17662368 0.80 IDO1 (0.59) TSHRMAOBMAOAALDH1A1CYP2C19
SCHEMBL9506155 0.79 TSHR (0.50) TSHRMAOBMAOAALDH1A1KDM4E
SCHEMBL3721964 0.79 TSHR (0.57) TSHRMAOBMAOAALDH1A1CYP2D6
SCHEMBL646907 0.78 IDO1 (0.42) MAOA

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 5 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
US-4348223-A FOR PREEMERGENT AND POSTEMERGENT APPLICATION PPG INDUSTRIES, INC. (US) 1982-09-07 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 TSHR 929/4885MAOB 3133/4885MAOA 2840/4885

“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.