SCHEMBL10061357

SCHEMBL10061357

Cc1ccc(/C=C/C(=O)/C=C(O)/C=C/c2ccc(C(F)(F)F)cc2)cc1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FOS P01100 1/20 0.77
JUN P05412 1/20 0.77
CYP1A2 P05177 2/20 0.66
CYP1A1 P04798 5/20 0.65
CYP1B1 Q16678 5/20 0.65
GSK3B P49841 3/20 0.55
BACE1 P56817 3/20 0.55
TLR9 Q9NR96 1/20 0.55
HDAC3 O15379 1/20 0.53
ADAM17 P78536 1/20 0.53
HDAC1 Q13547 1/20 0.53
HDAC2 Q92769 1/20 0.53
HDAC10 Q969S8 1/20 0.53
HDAC11 Q96DB2 1/20 0.53
HDAC8 Q9BY41 1/20 0.53
HDAC6 Q9UBN7 1/20 0.53
HDAC5 Q9UQL6 1/20 0.53
MAOB P27338 3/20 0.50
MAOA P21397 1/20 0.50
P4HB P07237 1/20 0.48

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
SCHEMBL610560 0.92 CYP1A2 (0.77) FOSJUNCYP1A2CYP1A1CYP1B1
SCHEMBL20586571 0.92 CYP1A2 (0.77) FOSJUNCYP1A2CYP1A1CYP1B1
SCHEMBL610559 0.92 CYP1A2 (0.77) FOSJUNCYP1A2CYP1A1CYP1B1
SCHEMBL11999777 0.89 CYP1A2 (0.83) FOSJUNCYP1A2CYP1A1CYP1B1
SCHEMBL608506 0.87 FOS (1.00) FOSJUNCYP1A2CYP1B1GSK3B
SCHEMBL4442364 0.87 FOS (1.00) FOSJUNCYP1A2CYP1B1GSK3B
SCHEMBL15290855 0.81 FOS (0.87) FOSJUNGSK3BBACE1TLR9
SCHEMBL8781291 0.81 CYP1A2 (1.00) JUNCYP1A2CYP1A1CYP1B1HDAC3
SCHEMBL8781296 0.81 CYP1A2 (1.00) JUNCYP1A2CYP1A1CYP1B1HDAC3
SCHEMBL31258594 0.81 CYP1A2 (1.00) JUNCYP1A2CYP1A1CYP1B1HDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120040976-A1 SMALL MOLECULE IMMUNOMODULATORS FOR ALZHEIMER'S DISEASE HUMAN BIOMOLECULAR RESEARCH INSTITUTE (US) 2012-02-16 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-20120040976-A1 SMALL MOLECULE IMMUNOMODULATORS FOR ALZHEIMER'S DISEASE L1CAM, LY96, GMFG FOS 4116/4885JUN 4222/4885CYP1A2 4526/4885

“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.