SCHEMBL2883787

SCHEMBL2883787

CC(C)Cc1cc(C2(c3cc(CC(C)C)c(O)c(CC(C)C)c3)c3ccccc3-c3ccccc32)cc(CC(C)C)c1O

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.49
GABRB2 P47870 2/20 0.49
ESR1 P03372 1/20 0.46
ESR2 Q92731 1/20 0.46
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
OPRK1 P41145 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ELANE P08246 2/20 0.37
CTSG P08311 1/20 0.37
PDK2 Q15119 5/20 0.35
AKR1C1 Q04828 1/20 0.33
HSP90AA1 P07900 2/20 0.33
HSP90AB1 P08238 1/20 0.33
POLB P06746 1/20 0.31
CYP2D6 P10635 1/20 0.31

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
SCHEMBL2883716 0.85 ESR1 (0.59) GABRA1GABRB2ESR1ESR2MEN1
SCHEMBL29632697 0.84 KDM4E (0.46) GABRA1GABRB2ESR1ESR2MEN1
SCHEMBL900106 0.83 ESR1 (0.51) GABRA1GABRB2ESR1ESR2MEN1
SCHEMBL10051848 0.80 ESR1 (0.47) ESR1ESR2MEN1KMT2AKDM4E
SCHEMBL2883963 0.79 ESR1 (0.47) GABRA1GABRB2ESR1ESR2MEN1
SCHEMBL30366138 0.79 PDK2 (0.39) GABRA1GABRB2ESR1ESR2MEN1
SCHEMBL383342 0.79 PDK2 (0.39) GABRA1GABRB2ESR1ESR2MEN1
SCHEMBL10076748 0.78 ESR1 (0.50) ESR1ESR2MEN1KMT2AKDM4E
SCHEMBL2886031 0.77 ESR1 (0.45) ESR1ESR2MEN1KMT2AKDM4E
SCHEMBL2883801 0.76 BCL2 (0.46) ESR1ESR2MEN1KMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7781540-B2 Resin composition and molded articles thereof OSAKA GAS CO., LTD. (JP) 2010-08-24 US disclosed
US-7772356-B2 Infrared absorption filter OSAKA GAS CO., LTD. (JP) 2010-08-10 US disclosed
US-7645534-B2 Membrane electrode assembly for solid polymer electrolyte fuel cell HONDA MOTOR CO., LTD. (JP) 2010-01-12 US disclosed
US-20090149625-A1 AROMATIC COMPOUND HAVING FLUORENE SKELETON AND POLYARYLENE HAVING SULFONIC ACID GROUP JSR CORPORATION (JP) 2009-06-11 US disclosed
EP-1808461-B1 RESIN COMPOSITION AND MOLDED OBJECT THEREOF TEIJIN CHEMICALS LTD (JP) 2009-03-11 EP disclosed
EP-2011812-A1 AROMATIC COMPOUND HAVING FLUORENE SKELETON AND POLYARYLENE HAVING SULFONIC ACID GROUP JSR Corporation (JP) 2009-01-07 EP disclosed
US-20080085955-A1 Resin Composition And Molded Articles Thereof OSAKA GAS CO., LTD. (JP) 2008-04-10 US disclosed
US-20070293606-A1 Infrared Absorption Filter OSAKA GAS CO., LTD. (JP) 2007-12-20 US disclosed
US-20070248865-A1 Membrane electrode assembly for solid polymer electrolyte fuel cell HONDA MOTOR CO., LTD. 2007-10-25 US disclosed
EP-1808461-A1 RESIN COMPOSITION AND MOLDED OBJECT THEREOF Teijin Chemicals, Ltd. (JP) 2007-07-18 EP disclosed
EP-1804093-A1 INFRARED ABSORBING FILTER OSAKA GAS CO., LTD. (JP) 2007-07-04 EP 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-20090149625-A1 AROMATIC COMPOUND HAVING FLUORENE SKELETON AND POLYARYLENE HAVING SULFONIC ACID GROUP AFF2, FGFR1, FUS GABRA1 987/4885GABRB2 640/4885ESR1 843/4885

“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.