SCHEMBL12027409

SCHEMBL12027409

CC(C)c1ccc(C=C[123I])cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYR P14679 1/20 0.54
KDM4E B2RXH2 2/20 0.53
MAPK1 P28482 2/20 0.53
PTGS1 P23219 1/20 0.50
PTGS2 P35354 1/20 0.50
SMN1; SMN2 Q16637 5/20 0.44
RAB9A P51151 5/20 0.44
NPC1 O15118 4/20 0.44
POLB P06746 2/20 0.44
ALDH1A1 P00352 4/20 0.42
LMNA P02545 3/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
NFE2L2 Q16236 1/20 0.42
NFKB1 P19838 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.42
GRIN2D O15399 2/20 0.41

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
SCHEMBL23918549 0.85 TYR (0.64) TYRKDM4EMAPK1PTGS1PTGS2
SCHEMBL30075786 0.85 TYR (0.64) TYRKDM4EMAPK1PTGS1PTGS2
SCHEMBL1137519 0.78 TYR (0.56) TYRKDM4EMAPK1PTGS1PTGS2
SCHEMBL11554074 0.78 TYR (0.56) TYRKDM4EMAPK1PTGS1PTGS2
SCHEMBL9405638 0.78 TYR (0.56) TYRKDM4EMAPK1PTGS1PTGS2
SCHEMBL2086915 0.76 TYR (0.54) TYRKDM4EMAPK1PTGS1PTGS2
SCHEMBL6546345 0.76 KDM4E (0.59) TYRKDM4EMAPK1PTGS1PTGS2
SCHEMBL23623944 0.76 TYR (0.54) TYRKDM4EMAPK1PTGS1PTGS2
SCHEMBL16105804 0.76 KDM4E (0.59) TYRKDM4EMAPK1PTGS1PTGS2
SCHEMBL24246237 0.76 PTGS1 (0.60) TYRKDM4EMAPK1PTGS1PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130287687-A1 COMPOUNDS, COMPOSITIONS, METHODS OF SYNTHESIS, AND METHODS OF TREATMENT UNIV EMORY (US) 2013-10-31 US disclosed
US-8551996-B2 Compounds, compositions, methods of synthesis, and methods of treatment EMORY UNIVERSITY (US) 2013-10-08 US disclosed
US-20110305636-A1 COMPOUNDS, COMPOSITIONS, METHODS OF SYNTHESIS, AND METHODS OF TREATMENT EMORY UNIVERSITY (US) 2011-12-15 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 (2 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-20110305636-A1 COMPOUNDS, COMPOSITIONS, METHODS OF SYNTHESIS, AND METHODS OF TREATMENT CRH, CRHR1, CRHR2 TYR 652/4885KDM4E 3113/4885MAPK1 538/4885
US-20130287687-A1 COMPOUNDS, COMPOSITIONS, METHODS OF SYNTHESIS, AND METHODS OF TREATMENT CRH, CRHR1, CRHR2 TYR 525/4885KDM4E 4628/4885MAPK1 1417/4885

“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.