SCHEMBL18564367

SCHEMBL18564367

CC1(C)c2ccccc2-c2ccc3c(c21)c1ccccc1n3-c1cccc(-c2ccc3nc(-c4cccc(-n5c6ccccc6c6c7c(ccc65)-c5ccccc5C7(C)C)c4)nc(-c4cccc(-n5c6ccccc6c6c7c(ccc65)-c5ccccc5C7(C)C)c4)c3c2)c1

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
WHR1 P49842 1/20 0.33
PTGER4 P35408 1/20 0.31
PDE10A Q9Y233 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
ATM Q13315 1/20 0.30

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
SCHEMBL18564471 0.97 WHR1 (0.31) WHR1PTGER4PDE10A
SCHEMBL18564473 0.97 WHR1 (0.34) WHR1PTGER4PDE10AMEN1KMT2A
SCHEMBL18564304 0.97 WHR1 (0.32) WHR1PTGER4PDE10AMEN1KMT2A
SCHEMBL18564451 0.96 WHR1 (0.33) WHR1PTGER4PDE10AMEN1KMT2A
SCHEMBL18564316 0.95 WHR1 (0.34) WHR1PTGER4PDE10AMEN1KMT2A
SCHEMBL21282017 0.92 MEN1 (0.36) WHR1PDE10AMEN1KMT2AATM
SCHEMBL18564379 0.90 WHR1 (0.33) WHR1PTGER4MEN1KMT2AATM
SCHEMBL18564266 0.89 WHR1 (0.32) WHR1PDE10A
SCHEMBL18566091 0.89 WHR1 (0.32) WHR1PDE10AMEN1KMT2AATM
SCHEMBL25965941 0.88 PDE10A (0.33) PDE10A

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-10290815-B2 Composition, compound, material for organic electroluminescence element, ink composition, organic electroluminescence element, and electronic device IDEMITSU KOSAN CO., LTD. (JP) 2019-05-14 US disclosed
US-20170062733-A1 COMPOSITION, COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENCE ELEMENT, INK COMPOSITION, ORGANIC ELECTROLUMINESCENCE ELEMENT, AND ELECTRONIC DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2017-03-02 US disclosed
US-20170062733-A1 COMPOSITION, COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENCE ELEMENT, INK COMPOSITION, ORGANIC ELECTROLUMINESCENCE ELEMENT, AND ELECTRONIC DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2017-03-02 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 (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-10290815-B2 Composition, compound, material for organic electroluminescence element, ink composition, organic electroluminescence element, and electronic device EED, BMI1, CD99 WHR1 1891/4885PTGER4 1251/4885PDE10A 2912/4885
US-20170062733-A1 COMPOSITION, COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENCE ELEMENT, INK COMPOSITION, ORGANIC ELECTROLUMINESCENCE ELEMENT, AND ELECTRONIC DEVICE EED, BMI1, CD99 WHR1 1891/4885PTGER4 1251/4885PDE10A 2912/4885

“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.