SCHEMBL11976578

SCHEMBL11976578

Cc1ccc(-c2nc(-c3ccc(C)cc3)nc(-n3c4ccc(C(C)(C)C)cc4c4cc(C(C)(C)C)ccc43)n2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 5/20 0.41
▸ NPC1 O15118 4/20 0.41
▸ TSHR P16473 1/20 0.39
▸ TP53 P04637 4/20 0.38
▸ POLB P06746 1/20 0.38
▸ ABCG2 Q9UNQ0 3/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ MAPT P10636 4/20 0.36
▸ ALDH1A1 P00352 3/20 0.36
▸ MEN1 O00255 3/20 0.36
▸ KMT2A Q03164 3/20 0.36
▸ CYP1A1 P04798 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP1B1 Q16678 1/20 0.35
▸ HRH4 Q9H3N8 1/20 0.35
▸ LMNA P02545 2/20 0.34
▸ XBP1 P17861 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ ATM Q13315 1/20 0.34
▸ NPSR1 Q6W5P4 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
SCHEMBL12132304 0.92 RAB9A (0.35) RAB9ANPC1TSHRTP53POLB
SCHEMBL12132303 0.89 RAB9A (0.34) RAB9ANPC1TSHRTP53POLB
SCHEMBL18858860 0.89 RAB9A (0.42) RAB9ANPC1TSHRTP53POLB
SCHEMBL12132305 0.88 RAB9A (0.33) RAB9ANPC1TSHRTP53POLB
SCHEMBL12132333 0.87 RAB9A (0.40) RAB9ANPC1TP53ABCG2SMN1; SMN2
SCHEMBL12132328 0.87 RAB9A (0.40) RAB9ANPC1TSHRTP53ABCG2
SCHEMBL12132323 0.87 RAB9A (0.40) RAB9ANPC1TP53POLBABCG2
SCHEMBL18327808 0.87 ALDH1A1 (0.34) RAB9ANPC1TSHRTP53POLB
SCHEMBL12132277 0.86 CYP1A1 (0.40) RAB9ANPC1TP53SMN1; SMN2MAPT
SCHEMBL23604787 0.85 ABCG2 (0.47) RAB9ANPC1TP53ABCG2SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9048442-B2 Composition containing a metal complex and organic compound, and light-emitting element using said compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-06-02 — — US disclosed
EP-2305772-B1 COMPOSITION CONTAINING A METAL COMPLEX AND ORGANIC COMPOUND, AND LIGHT EMITTING ELEMENT USING SAID COMPOUND SUMITOMO CHEMICAL CO (JP) 2015-05-20 — — EP disclosed
US-20120205585-A1 METAL COMPLEX, POLYMER COMPOUND AND DEVICE USING THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-08-16 — — US disclosed
US-20110284829-A1 POLYMER COMPOUND AND LIGHT EMITTING DEVICE USING THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-11-24 — — US disclosed
US-20110114890-A1 COMPOSITION CONTAINING A METAL COMPLEX AND ORGANIC COMPOUND, AND LIGHT-EMITTING ELEMENT USING SAID COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-05-19 — — US disclosed
EP-2305772-A1 COMPOSITION CONTAINING A METAL COMPLEX AND ORGANIC COMPOUND, AND LIGHT EMITTING ELEMENT USING SAID COMPOUND Sumitomo Chemical Company, Limited (JP) 2011-04-06 — — EP 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-20120205585-A1 METAL COMPLEX, POLYMER COMPOUND AND DEVICE USING THE SAME HDAC10, EMG1, PRMT1 RAB9A 470/4885NPC1 1597/4885TSHR 1512/4885

“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.

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