SCHEMBL6744010

SCHEMBL6744010

C1=CC(=C(c2ccccc2)c2ccccc2)C=C1C1CC2CCC1C2

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 5/20 0.40
MEN1 O00255 1/20 0.37
POLB P06746 1/20 0.37
GAA P10253 1/20 0.37
KMT2A Q03164 1/20 0.37
KDM4E B2RXH2 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
SLC6A4 P31645 3/20 0.33
SIGMAR1 Q99720 2/20 0.33
HPGD P15428 2/20 0.33
TDP1 Q9NUW8 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
SMN1; SMN2 Q16637 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
SCHEMBL6743318 0.78 KMT2A (0.35) KMT2ASIGMAR1
SCHEMBL6743328 0.77 MEN1 (0.38) SLC6A3MEN1POLBGAAKMT2A
SCHEMBL6053773 0.67 SLC6A3 (0.57) SLC6A3MEN1POLBGAAKMT2A
SCHEMBL8673153 0.67 SLC6A3 (0.57) SLC6A3MEN1POLBGAAKMT2A
SCHEMBL9467530 0.65 MEN1 (0.47) SLC6A3MEN1POLBGAAKMT2A
SCHEMBL25732993 0.62 KDM1A (0.53) SLC6A3MEN1POLBGAAKMT2A
SCHEMBL23339624 0.62 MEN1 (0.49) SLC6A3MEN1POLBGAAKMT2A
SCHEMBL10080180 0.61 MEN1 (0.35) SLC6A3MEN1POLBGAAKMT2A
SCHEMBL21896028 0.61 L3MBTL1 (0.59) SLC6A3MEN1POLBGAAKMT2A
SCHEMBL10603938 0.61 NPC1 (0.40) SLC6A3MEN1POLBGAAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6693153-B2 USING COORDINATION CATALYST CALIFORNIA INSTITUTE OF TECHNOLOGY 2004-02-17 US disclosed
US-20030139544-A1 Catalyst system for the polymerization of alkenes to polyolefins ENERGY, UNITED STATES DEPARTMENT OF 2003-07-24 US disclosed
US-6469188-B1 CATALYST SYSTEMS PARTICULARLY USEFUL FOR THE POLYMERIZATION OF POLYPROPYLENE TO GIVE ELASTOMERIC POLYPROPYLENES CALIFORNIA INSTITUTE OF TECHNOLOGY 2002-10-22 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-20030139544-A1 Catalyst system for the polymerization of alkenes to polyolefins MSH2, PMS2, SDC4 SLC6A3 4594/4885MEN1 1486/4885POLB 1365/4885

“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.