SCHEMBL6153543

SCHEMBL6153543

CC1(C)COc2c(Cc3ccccc3)cc(Br)cc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 6/20 0.38
PTGS2 P35354 6/20 0.38
ALOX5 P09917 3/20 0.38
CTRC Q99895 1/20 0.35
BCL2 P10415 1/20 0.34
BCL2L1 Q07817 1/20 0.34
RXRA P19793 1/20 0.34
SLC5A2 P31639 2/20 0.33
LMNA P02545 1/20 0.33
F2 P00734 1/20 0.32
F9 P00740 1/20 0.32
F10 P00742 1/20 0.32
CFD P00746 1/20 0.32
PLG P00747 1/20 0.32
PLAU P00749 1/20 0.32
PLAT P00750 1/20 0.32
F11 P03951 1/20 0.32
KLKB1 P03952 1/20 0.32
F7 P08709 1/20 0.32
HSP90AA1 P07900 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
SCHEMBL6757715 0.75 PTGS1 (0.40) PTGS1PTGS2ALOX5RXRASLC5A2
SCHEMBL6153876 0.75 PTGS2 (0.37) PTGS1PTGS2ALOX5
SCHEMBL6154450 0.74 SLC5A2 (0.36) PTGS1PTGS2ALOX5BCL2BCL2L1
SCHEMBL6755231 0.73 PTGS1 (0.34) PTGS1PTGS2ALOX5RXRASLC5A2
SCHEMBL6154178 0.72 PTGS2 (0.41) PTGS1PTGS2ALOX5
SCHEMBL2489432 0.71 AHR (0.38) PTGS1PTGS2ALOX5
SCHEMBL6156136 0.70 PTGS2 (0.37) PTGS1PTGS2ALOX5LMNASIGMAR1
SCHEMBL672713 0.70 PTGS2 (0.35) PTGS1PTGS2ALOX5
Methylamine SCHEMBL29150756 0.69 CTRC (0.33) CTRCBCL2BCL2L1SLC5A2LMNA
SCHEMBL6153167 0.69 PTGS2 (0.39) PTGS1PTGS2ALOX5

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
EP-1499604-A1 DIHYDROBENZOFURAN AND DIHYDROBENZOTHIOPHENE 2,4-PENTAIDENOIC ACID DERIVATIVES HAVING SELECTIVE ACTIVITY FOR RETINOID X (RXR) RECEPTORS Allergan, Inc. (US) 2005-01-26 EP disclosed
US-6720423-B2 SKIN RELATED DISEASES; PROMOTE THE EXPRESSION OF OR BIND TO RECEPTORS BELONGING TO THE STEROID OR THYROID RECEPTOR SUPERFAMILY. ALLERGAN, INC. 2004-04-13 US disclosed
US-20030216570-A1 Dihydrobenzofuran and dihydrobenzothiophene 2,4-pentadienoic acid derivatives having selective activity for retinoid X (RXR) receptors ALLERGAN, INC. 2003-11-20 US disclosed
WO-2003093257-A1 DIHYDROBENZOFURAN AND DIHYDROBENZOTHIOPHENE 2,4-PENTAIDENOIC ACID DERIVATIVES HAVING SELECTIVE ACTIVITY FOR RETINOID X (RXR) RECEPTORS ALLERGAN, INC. (US) 2003-11-13 WO 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-20030216570-A1 Dihydrobenzofuran and dihydrobenzothiophene 2,4-pentadienoic acid derivatives having selective activity for retinoid X (RXR) receptors RXRB, RXRA, RXRG PTGS1 973/4885PTGS2 1241/4885ALOX5 222/4885

“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.