SCHEMBL18889384

SCHEMBL18889384

COc1ccc(CCN2CCN(C(=O)c3ccc(Oc4ccc5[nH]c(C)c(C)c5c4)cc3)CC2)cc1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.60
▸ DRD2 P14416 7/20 0.58
▸ KMT2A Q03164 1/20 0.52
▸ NPC1 O15118 2/20 0.50
▸ DRD3 P35462 6/20 0.49
▸ RAB9A P51151 2/20 0.49
▸ GFER P55789 1/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ ACHE P22303 1/20 0.47
▸ TLR9 Q9NR96 1/20 0.47
▸ TLR8 Q9NR97 1/20 0.47
▸ TLR7 Q9NYK1 1/20 0.47
▸ MAPT P10636 1/20 0.47
▸ HTR2A P28223 1/20 0.46

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
SCHEMBL18889385 0.92 POLB (0.58) POLBDRD2KMT2ANPC1DRD3
SCHEMBL18889404 0.92 POLB (0.56) POLBDRD2KMT2ANPC1RAB9A
SCHEMBL18889383 0.92 KMT2A (0.55) POLBKMT2ANPC1RAB9AGFER
SCHEMBL18889417 0.91 POLB (0.54) POLBDRD2KMT2ANPC1DRD3
SCHEMBL17444659 0.91 POLB (0.60) POLBDRD2KMT2ANPC1DRD3
SCHEMBL18889395 0.86 KMT2A (0.51) POLBDRD2KMT2ANPC1DRD3
SCHEMBL17444646 0.86 POLB (0.54) POLBDRD2KMT2ANPC1DRD3
SCHEMBL18889419 0.86 POLB (0.49) POLBKMT2ANPC1RAB9AGFER
SCHEMBL18889397 0.85 KMT2A (0.54) POLBKMT2ANPC1RAB9AGFER
SCHEMBL18889412 0.84 POLB (0.54) POLBKMT2ANPC1RAB9AGFER

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170152226-A1 FUNCTIONALISED AND SUBSTITUTED INDOLES AS ANTI-CANCER AGENTS Novogen ltd (AU) 2017-06-01 — — 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-20170152226-A1 FUNCTIONALISED AND SUBSTITUTED INDOLES AS ANTI-CANCER AGENTS TPM3, TPM4, TNNI3 POLB 1177/4885DRD2 3744/4885KMT2A 1730/4885

“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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