SCHEMBL6060732

SCHEMBL6060732

CC(C)CC1c2ccccc2-c2ccccc21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 3/20 0.52
GPR3 P46089 2/20 0.41
POLB P06746 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
ATM Q13315 1/20 0.41
PRCP P42785 1/20 0.41
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CHRM1 P11229 2/20 0.40
ADRA1A P35348 2/20 0.40
DRD3 P35462 2/20 0.40
DRD2 P14416 1/20 0.40
ADRA2B P18089 1/20 0.40
ADRA2C P18825 1/20 0.40
CHRM3 P20309 1/20 0.40
HTR2C P28335 1/20 0.40
HRH1 P35367 1/20 0.40
KCNH2 Q12809 1/20 0.40
OPRM1 P35372 2/20 0.38

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
SCHEMBL4806041 0.88 PRCP (0.44) HTR2APRCPCHRM1ADRA1ADRD3
SCHEMBL9662292 0.83 HTR2A (0.48) HTR2AGPR3POLBMEN1KMT2A
SCHEMBL1539788 0.81 HTR2A (0.47) HTR2AGPR3POLBMEN1KMT2A
SCHEMBL6027731 0.78 HTR2A (0.48) HTR2AGPR3POLBMEN1KMT2A
SCHEMBL6312576 0.78 HTR2A (0.37) HTR2APOLBMEN1KMT2AATM
SCHEMBL8664813 0.77 CYP2D6 (0.43) HTR2APOLBMEN1KMT2APRCP
SCHEMBL16590918 0.77 HTR2A (0.42) HTR2AGPR3POLBMEN1KMT2A
SCHEMBL17801651 0.77 HTR2A (0.42) HTR2AGPR3POLBMEN1KMT2A
SCHEMBL7769352 0.75 HTR2A (0.45) HTR2AGPR3POLBMEN1KMT2A
SCHEMBL17022493 0.74 HTR2A (0.44) HTR2AGPR3POLBMEN1KMT2A

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-20230365488-A1 TRUXILLIC ACID MONOESTER-DERIVATIVES AS SELECTIVE FABP5 INHIBITORS AND PHARMACEUTICAL COMPOSITIONS AND USES THEREOF THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2023-11-16 US disclosed
EP-1298117-B1 Method for preparing bromofluorenes JFE CHEMICAL CORP (JP) 2006-02-15 EP disclosed
US-6858764-B2 Method for preparing bromofluorenes JFE CHEMICAL CORPORATION (JP) 2005-02-22 US disclosed
US-20030065226-A1 Method for preparing bromofluorenes ADCHEMCO CORPORATION (JP) 2003-04-03 US disclosed
EP-1298117-A2 Method for preparing bromofluorenes Adchemco Corporation (JP) 2003-04-02 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 (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-20030065226-A1 Method for preparing bromofluorenes FLNB, AFF2, BRPF1 HTR2A 2043/4885GPR3 2714/4885POLB 181/4885
US-20230365488-A1 TRUXILLIC ACID MONOESTER-DERIVATIVES AS SELECTIVE FABP5 INHIBITORS AND PHARMACEUTICAL COMPOSITIONS AND USES THEREOF FABP5, FABP1, FABP4 HTR2A 1027/4885GPR3 291/4885POLB 4859/4885

“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.