SCHEMBL12298189

SCHEMBL12298189

CC1=CC(C)(C)Nc2ccc3c(=O)c4ccc([N+](=O)[O-])cc4oc3c21

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PGR P06401 11/20 0.55
▸ AR P10275 2/20 0.50
▸ NR3C1 P04150 1/20 0.50
▸ NR3C2 P08235 1/20 0.50
▸ MEN1 O00255 2/20 0.40
▸ MAPT P10636 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ CYP11B1 P15538 1/20 0.38
▸ CYP11B2 P19099 1/20 0.38
▸ MAOA P21397 1/20 0.35
▸ MAOB P27338 1/20 0.35
▸ CAPN9 O14815 1/20 0.34
▸ CASP3 P42574 1/20 0.34
▸ CA12 O43570 1/20 0.34
▸ CA9 Q16790 1/20 0.34

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
SCHEMBL12298084 0.83 PGR (0.58) PGRARMAPTCA12CA9
SCHEMBL5032299 0.80 PGR (0.50) PGRARNR3C1NR3C2MEN1
SCHEMBL12886106 0.70 PGR (0.74) PGRARNR3C1NR3C2MEN1
SCHEMBL16309154 0.69 PGR (0.54) PGRARNR3C1NR3C2MEN1
SCHEMBL17821013 0.68 MEN1 (0.55) MEN1MAPTKMT2ACYP11B1CYP11B2
SCHEMBL5034452 0.68 PGR (0.52) PGRARNR3C1NR3C2
SCHEMBL5038438 0.68 PGR (0.49) PGRARNR3C1NR3C2
SCHEMBL5034792 0.68 PGR (0.52) PGRARNR3C1NR3C2CA12
SCHEMBL1315813 0.68 ESR1 (0.53) PGRMEN1MAPTKMT2AMAOA
SCHEMBL12298172 0.67 MAPT (0.54) MEN1MAPTKMT2ACYP11B1CYP11B2

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-8951938-B2 Combinatorial rosamine library to detect cell-state switching NEW YORK UNIVERSITY (US) 2015-02-10 — — US disclosed
US-8951938-B2 Combinatorial rosamine library to detect cell-state switching NEW YORK UNIVERSITY (US) 2015-02-10 — — US disclosed
US-8026110-B2 For detecting and imaging cells; solid phase synthesis NEW YORK UNIVERSITY (US) 2011-09-27 — — US disclosed
US-20090227467-A1 COMBINATORIAL ROSAMINE LIBRARY TO DETECT CELL-STATE SWITCHING NEW YORK UNIVERSITY (US) 2009-09-10 — — US disclosed
US-20080124751-A1 COMBINATORIAL ROSAMINE LIBRARY AND USES THEREOF NEW YORK UNIVERSITY (US) 2008-05-29 — — 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-20080124751-A1 COMBINATORIAL ROSAMINE LIBRARY AND USES THEREOF RXFP1, RXFP2, CX3CR1 PGR 226/4885AR 1801/4885NR3C1 4660/4885

“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.

Send feedback