SCHEMBL985712

SCHEMBL985712

C(C=NC12CC3CC(CC(C3)C1)C2)=NC12CC3CC(CC(C3)C1)C2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.39
RIN1 Q13671 1/20 0.39
SIGMAR1 Q99720 4/20 0.36
GRIN2D O15399 4/20 0.36
GRIN3B O60391 4/20 0.36
GRIN1 Q05586 4/20 0.36
GRIN2A Q12879 4/20 0.36
GRIN2B Q13224 4/20 0.36
GRIN2C Q14957 4/20 0.36
GRIN3A Q8TCU5 4/20 0.36
LMNA P02545 2/20 0.36
SLC22A2 O15244 1/20 0.36
SLC22A1 O15245 1/20 0.36
TSHR P16473 1/20 0.36
NFKB1 P19838 1/20 0.36
STAT6 P42226 1/20 0.36
SLC47A1 Q96FL8 1/20 0.36
THRB P10828 2/20 0.35
POLB P06746 1/20 0.35
BLM P54132 1/20 0.35

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
SCHEMBL985710 1.00 ABL1 (0.39) ABL1RIN1SIGMAR1GRIN2DGRIN3B
SCHEMBL985709 1.00 ABL1 (0.39) ABL1RIN1SIGMAR1GRIN2DGRIN3B
SCHEMBL13428595 0.78 SIGMAR1 (0.38) ABL1RIN1SIGMAR1GRIN2DGRIN3B
SCHEMBL2915914 0.71 GRIN2D (0.42) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL31254406 0.71 SIGMAR1 (0.42) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL17337971 0.71 THRB (0.45) ABL1RIN1SIGMAR1TSHRTHRB
SCHEMBL3076058 0.71 SIGMAR1 (0.41) ABL1RIN1SIGMAR1GRIN2DGRIN3B
SCHEMBL17337972 0.71 THRB (0.45) ABL1RIN1SIGMAR1TSHRTHRB
SCHEMBL3076057 0.71 SIGMAR1 (0.41) ABL1RIN1SIGMAR1GRIN2DGRIN3B
SCHEMBL17338027 0.69 THRB (0.44) ABL1RIN1SIGMAR1TSHRTHRB

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
US-8288602-B2 Synthesis of substituted fluorene ligands TOTAL PETROCHEMICALS RESEARCH FELUY (BE) 2012-10-16 US disclosed
US-20110009683-A1 SYNTHESIS OF SUBSTITUTED FLUORENE LIGANDS TOTAL PETROCHEMICALS RESEARCH FELUY (BE) 2011-01-13 US disclosed
EP-1999091-B1 SYNTHESIS OF SUBSTITUTED FLUORENES TOTAL PETROCHEMICALS RES FELUY (BE) 2010-08-04 EP disclosed
WO-2005035121-A2 SCHIFF BASE METAL COMPLEXES FOR USE AS CATALYSTS IN ORGANIC SYNTHESIS UNIVERSITEIT GENT (BE) 2005-04-21 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-20110009683-A1 SYNTHESIS OF SUBSTITUTED FLUORENE LIGANDS FDPS, FLNB, PFAS ABL1 25/4885RIN1 2603/4885SIGMAR1 459/4885

“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.