SCHEMBL17444599

SCHEMBL17444599

COC(=O)c1cccc(Cc2ccc3[nH]c(C)c(C)c3c2)c1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HCRTR1 O43613 1/20 0.54
▸ MAPT P10636 7/20 0.50
▸ LOXL2 Q9Y4K0 1/20 0.50
▸ ROCK1 Q13464 1/20 0.50
▸ RAB9A P51151 3/20 0.49
▸ NPC1 O15118 2/20 0.49
▸ CYP4F2 P78329 2/20 0.49
▸ CYP4A11 Q02928 2/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ KDM4E B2RXH2 2/20 0.47
▸ ALDH1A1 P00352 2/20 0.47
▸ HPGD P15428 2/20 0.47
▸ THRB P10828 1/20 0.47
▸ LMNA P02545 2/20 0.47
▸ HTT P42858 1/20 0.46
▸ POLB P06746 1/20 0.46
▸ KMT2A Q03164 3/20 0.46
▸ MEN1 O00255 2/20 0.46
▸ HSD17B10 Q99714 1/20 0.45

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
SCHEMBL16741875 0.89 HCRTR1 (0.58) HCRTR1MAPTRAB9ANPC1SMN1; SMN2
SCHEMBL16741878 0.86 KDM4E (0.65) HCRTR1MAPTROCK1RAB9ANPC1
SCHEMBL18941314 0.81 MAPT (0.64) MAPTRAB9ANPC1KDM4EALDH1A1
SCHEMBL18941101 0.81 HCRTR1 (0.73) HCRTR1MAPTRAB9ANPC1SMN1; SMN2
SCHEMBL16741920 0.81 RAB9A (0.60) MAPTRAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL18262987 0.79 HCRTR1 (0.52) HCRTR1MAPTRAB9ANPC1SMN1; SMN2
SCHEMBL18941290 0.79 MAPT (0.72) MAPTRAB9ANPC1HPGDLMNA
SCHEMBL18941086 0.78 KMT2A (0.59) MAPTRAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL17448256 0.77 AHR (0.52) HCRTR1MAPTKDM4EALDH1A1HPGD
SCHEMBL17444602 0.77 KDM4E (0.70) HCRTR1MAPTRAB9ANPC1SMN1; 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 7 patents. 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
US-20170152226-A1 FUNCTIONALISED AND SUBSTITUTED INDOLES AS ANTI-CANCER AGENTS Novogen ltd (AU) 2017-06-01 — — US disclosed
US-20170152226-A1 FUNCTIONALISED AND SUBSTITUTED INDOLES AS ANTI-CANCER AGENTS Novogen ltd (AU) 2017-06-01 — — US disclosed
EP-3169683-A1 FUNCTIONALISED AND SUBSTITUTED INDOLES AS ANTI-CANCER AGENTS Novogen Ltd. (AU) 2017-05-24 — — EP disclosed
WO-2016187667-A1 FUNCTIONALISED AND SUBSTITUTED INDOLES AS ANTI-CANCER AGENTS NOVOGEN LIMITED (AU) 2016-12-01 — — WO disclosed
WO-2016008011-A1 FUNCTIONALISED AND SUBSTITUTED INDOLES AS ANTI-CANCER AGENTS Novogen ltd (AU) 2016-01-21 — — WO disclosed
WO-2016008011-A1 FUNCTIONALISED AND SUBSTITUTED INDOLES AS ANTI-CANCER AGENTS Novogen ltd (AU) 2016-01-21 — — WO 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 HCRTR1 4856/4885MAPT 1168/4885LOXL2 3436/4885

“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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