Sugi Predict

Sugi Predict / Compounds / SCHEMBL18565796

SCHEMBL18565796

SCHEMBL18565796

c1ccc2c(c1)oc1ccc(-c3ccc4c5ccccc5n(-c5ccc6cc(-c7nc(-n8c9ccccc9c9ccc(-c%10ccc%11oc%12ccccc%12c%11c%10)cc98)nc(-n8c9ccccc9c9ccc(-c%10ccc%11oc%12ccccc%12c%11c%10)cc98)n7)ccc6c5)c4c3)cc12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHEK2 O96017 1/20 0.36
▸ CASP3 P42574 1/20 0.34
▸ SENP7 Q9BQF6 1/20 0.34
▸ SENP6 Q9GZR1 1/20 0.34
▸ NPC1 O15118 2/20 0.33
▸ MAPT P10636 2/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ TUBB4A P04350 1/20 0.32
▸ TUBB P07437 1/20 0.32
▸ TUBA3C P0DPH7 1/20 0.32
▸ TUBA1B P68363 1/20 0.32
▸ TUBA4A P68366 1/20 0.32
▸ TUBB4B P68371 1/20 0.32
▸ TUBB3 Q13509 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
SCHEMBL18565798 0.92 CHEK2 (0.38) CHEK2CASP3SENP7SENP6NPC1
SCHEMBL18565788 0.91 CHEK2 (0.37) CHEK2CASP3SENP7SENP6NPC1
SCHEMBL18565797 0.90 CHEK2 (0.36) CHEK2CASP3SENP7SENP6NPC1
SCHEMBL18705794 0.89 KDM4E (0.43) CHEK2CASP3SENP7SENP6NPC1
SCHEMBL18565636 0.89 CHEK2 (0.38) CHEK2CASP3SENP7SENP6NPC1
SCHEMBL16904417 0.89 KDM4E (0.37) CHEK2CASP3SENP7SENP6NPC1
SCHEMBL18565805 0.89 MAPT (0.41) CHEK2CASP3SENP7SENP6NPC1
SCHEMBL10059083 0.88 TUBB4A (0.35) CHEK2CASP3SENP7SENP6NPC1
SCHEMBL18565781 0.88 TUBB4A (0.33) CHEK2CASP3SENP7SENP6TUBB4A
SCHEMBL15394962 0.88 CHEK2 (0.39) CHEK2CASP3SENP7SENP6NPC1

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 CHEK2 3359/4885CASP3 3988/4885SENP7 4266/4885
US-20170062733-A1 COMPOSITION, COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENCE ELEMENT, INK COMPOSITION, ORGANIC ELECTROLUMINESCENCE ELEMENT, AND ELECTRONIC DEVICE EED, BMI1, CD99 CHEK2 3359/4885CASP3 3988/4885SENP7 4266/4885

“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.