SCHEMBL17532746

SCHEMBL17532746

Cc1cc2ccc3ccc(C)nc3c2c(C)n1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CCR1 P32246 2/20 0.56
▸ CCR5 P51681 2/20 0.56
▸ RAB9A P51151 1/20 0.56
▸ METAP2 P50579 1/20 0.42
▸ CYP1A2 P05177 3/20 0.38
▸ PARP1 P09874 1/20 0.37
▸ KDM4E B2RXH2 2/20 0.36
▸ LMNA P02545 2/20 0.36
▸ HTT P42858 1/20 0.36
▸ MAPT P10636 3/20 0.35
▸ GLO1 Q04760 1/20 0.35
▸ CCR8 P51685 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ CASP6 P55212 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ NR4A2 P43354 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ OPRK1 P41145 1/20 0.33
▸ KMT2A Q03164 1/20 0.33

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
SCHEMBL17532793 0.82 KDM4E (0.42) CCR1CCR5RAB9ACYP1A2KDM4E
SCHEMBL17532716 0.80 CCR1 (0.56) CCR1CCR5RAB9AMETAP2CYP1A2
SCHEMBL17532764 0.75 CYP1A2 (0.46) CCR1CCR5RAB9ACYP1A2KDM4E
Neocuproine SCHEMBL124563 0.74 CCR1 (1.00) CCR1CCR5RAB9AMETAP2CYP1A2
Neocuproine SCHEMBL29639703 0.74 CCR1 (1.00) CCR1CCR5RAB9AMETAP2CYP1A2
Neocuproine SCHEMBL29367091 0.74 CCR1 (1.00) CCR1CCR5RAB9AMETAP2CYP1A2
Neocuproine SCHEMBL11672280 0.74 CCR1 (1.00) CCR1CCR5RAB9AMETAP2CYP1A2
SCHEMBL17532751 0.73 CCR1 (0.54) CCR1CCR5RAB9AMETAP2CYP1A2
SCHEMBL17532754 0.73 CCR1 (0.54) CCR1CCR5RAB9AMETAP2CYP1A2
Neocuproine SCHEMBL870750 0.71 CCR1 (0.94) CCR1CCR5RAB9AMETAP2CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9780310-B2 Heterocyclic compound for organic electroluminescent device and its application TOSOH CORPORATION (JP) 2017-10-03 — — US disclosed
US-9780310-B2 Heterocyclic compound for organic electroluminescent device and its application TOSOH CORPORATION (JP) 2017-10-03 — — US disclosed
US-20160056388-A1 HETEROCYCLIC COMPOUND FOR ORGANIC ELECTROLUMINESCENT DEVICE AND ITS APPLICATION TOSOH CORPORATION (JP) 2016-02-25 — — US disclosed
US-20160056388-A1 HETEROCYCLIC COMPOUND FOR ORGANIC ELECTROLUMINESCENT DEVICE AND ITS APPLICATION TOSOH CORPORATION (JP) 2016-02-25 — — 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-20160056388-A1 HETEROCYCLIC COMPOUND FOR ORGANIC ELECTROLUMINESCENT DEVICE AND ITS APPLICATION AOC2, AZI2, KCNH2 CCR1 4739/4885CCR5 3538/4885RAB9A 2520/4885

“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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