SCHEMBL16741875

SCHEMBL16741875

COC(=O)c1ccc(Cc2ccc3[nH]c(C)c(C)c3c2)cc1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HCRTR1 O43613 1/20 0.58
▸ MAPT P10636 9/20 0.56
▸ KDM4E B2RXH2 2/20 0.54
▸ ALDH1A1 P00352 2/20 0.54
▸ HPGD P15428 2/20 0.54
▸ THRB P10828 1/20 0.54
▸ SMN1; SMN2 Q16637 1/20 0.53
▸ RAB9A P51151 3/20 0.52
▸ NPC1 O15118 2/20 0.52
▸ LMNA P02545 2/20 0.52
▸ HTT P42858 1/20 0.52
▸ MEN1 O00255 2/20 0.50
▸ KMT2A Q03164 2/20 0.50
▸ POLB P06746 2/20 0.49
▸ PTPN5 P54829 1/20 0.49
▸ AR P10275 1/20 0.49
▸ HSD17B10 Q99714 1/20 0.48
▸ TP53 P04637 1/20 0.47

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
SCHEMBL17444599 0.89 HCRTR1 (0.54) HCRTR1MAPTKDM4EALDH1A1HPGD
SCHEMBL17444602 0.85 KDM4E (0.70) HCRTR1MAPTKDM4EALDH1A1HPGD
SCHEMBL18941101 0.84 HCRTR1 (0.73) HCRTR1MAPTKDM4EALDH1A1HPGD
SCHEMBL18941104 0.81 KMT2A (0.78) MAPTSMN1; SMN2RAB9ANPC1LMNA
SCHEMBL18263044 0.80 RAB9A (0.57) HCRTR1MAPTKDM4EALDH1A1HPGD
SCHEMBL18941134 0.79 MAPT (0.66) MAPTKDM4EALDH1A1HPGDTHRB
SCHEMBL18906764 0.78 MAPT (0.52) HCRTR1MAPTKDM4EALDH1A1HPGD
SCHEMBL18941236 0.78 KMT2A (0.61) MAPTKDM4EALDH1A1HPGDTHRB
SCHEMBL16880021 0.78 PTPN5 (0.60) MAPTKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL18941159 0.77 MAPT (0.77) MAPTHPGDRAB9ANPC1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170166555-A1 FUNCTIONALISED AND SUBSTITUTED INDOLES AS ANTI-CANCER AGENTS NOVOGEN LIMITED (AU) 2017-06-15 — — US disclosed
US-20170166555-A1 FUNCTIONALISED AND SUBSTITUTED INDOLES AS ANTI-CANCER AGENTS NOVOGEN LIMITED (AU) 2017-06-15 — — 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
EP-3074378-A1 FUNCTIONALISED AND SUBSTITUTED INDOLES AS ANTI-CANCER AGENTS Novogen Ltd. (AU) 2016-10-05 — — EP 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
WO-2015074123-A1 FUNCTIONALISED AND SUBSTITUTED INDOLES AS ANTI-CANCER AGENTS Novogen ltd (AU) 2015-05-28 — — 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 (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-20170166555-A1 FUNCTIONALISED AND SUBSTITUTED INDOLES AS ANTI-CANCER AGENTS TPM3, TPM4, TNNI3 HCRTR1 4872/4885MAPT 2167/4885KDM4E 1466/4885
US-20170152226-A1 FUNCTIONALISED AND SUBSTITUTED INDOLES AS ANTI-CANCER AGENTS TPM3, TPM4, TNNI3 HCRTR1 4856/4885MAPT 1168/4885KDM4E 1403/4885

“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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