SCHEMBL18565617

SCHEMBL18565617

c1ccc2c(c1)oc1cc(-c3ccc4c(c3)c3ccccc3n4-c3nc(-n4c5ccccc5c5cc(-c6ccc7c(c6)oc6ccccc67)ccc54)nc(-n4c5ccccc5c5cc(-c6ccc7c(c6)oc6ccccc67)ccc54)n3)ccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 2/20 0.41
HCRTR1 O43613 1/20 0.40
MEN1 O00255 5/20 0.40
KMT2A Q03164 5/20 0.40
MAPT P10636 4/20 0.40
KDM4E B2RXH2 3/20 0.40
ALDH1A1 P00352 3/20 0.40
HPGD P15428 3/20 0.40
NPC1 O15118 3/20 0.37
RAB9A P51151 3/20 0.37
MMP12 P39900 1/20 0.37
MMP13 P45452 1/20 0.37
ATM Q13315 1/20 0.37
CASP3 P42574 1/20 0.35
SENP7 Q9BQF6 1/20 0.35
SENP6 Q9GZR1 1/20 0.35
CHEK2 O96017 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
GAA P10253 2/20 0.34
MAOA P21397 1/20 0.34

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
SCHEMBL20633732 0.94 MMP12 (0.38) AHRHCRTR1MEN1KMT2AMAPT
SCHEMBL20633801 0.94 MMP12 (0.38) AHRHCRTR1MEN1KMT2AMAPT
SCHEMBL18565558 0.93 AHR (0.41) AHRHCRTR1MEN1KMT2AMAPT
SCHEMBL18565661 0.93 MAPT (0.41) AHRHCRTR1MEN1KMT2AMAPT
SCHEMBL18565611 0.92 HCRTR1 (0.38) AHRHCRTR1MEN1KMT2AMAPT
SCHEMBL18565612 0.92 KDM4E (0.36) AHRHCRTR1MEN1KMT2AMAPT
SCHEMBL23604768 0.92 AHR (0.42) AHRHCRTR1MEN1KMT2AMAPT
SCHEMBL22960516 0.91 HCRTR1 (0.37) AHRHCRTR1MEN1KMT2AMAPT
SCHEMBL18566330 0.91 MAPT (0.38) AHRHCRTR1MEN1KMT2AMAPT
SCHEMBL25661352 0.90 HCRTR1 (0.40) AHRHCRTR1MEN1KMT2AMAPT

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 AHR 361/4885HCRTR1 4165/4885MEN1 1686/4885
US-20170062733-A1 COMPOSITION, COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENCE ELEMENT, INK COMPOSITION, ORGANIC ELECTROLUMINESCENCE ELEMENT, AND ELECTRONIC DEVICE EED, BMI1, CD99 AHR 361/4885HCRTR1 4165/4885MEN1 1686/4885

“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.