SCHEMBL17444608

SCHEMBL17444608

Cc1[nH]c2ccc(Oc3cccc(C(=O)O)c3)cc2c1C

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.65
▸ ALDH1A1 P00352 1/20 0.65
▸ THRB P10828 1/20 0.65
▸ HPGD P15428 1/20 0.65
▸ AKR1C3 P42330 1/20 0.55
▸ KMO O15229 1/20 0.51
▸ RAB9A P51151 4/20 0.48
▸ NPC1 O15118 2/20 0.48
▸ POLB P06746 1/20 0.48
▸ CYP2C9 P11712 1/20 0.48
▸ HCRTR1 O43613 1/20 0.48
▸ KMT2A Q03164 4/20 0.47
▸ MEN1 O00255 3/20 0.47
▸ PTPN5 P54829 1/20 0.46
▸ MAPT P10636 3/20 0.45
▸ GFER P55789 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ TP53 P04637 2/20 0.45
▸ CHEK2 O96017 1/20 0.44
▸ AKR1C2 P52895 1/20 0.43

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
SCHEMBL17444569 0.88 KDM4E (0.70) KDM4EALDH1A1THRBHPGDRAB9A
SCHEMBL18262987 0.87 HCRTR1 (0.52) KDM4EALDH1A1THRBHPGDRAB9A
SCHEMBL18941063 0.85 KMT2A (0.64) RAB9ANPC1POLBKMT2AMEN1
SCHEMBL28364130 0.83 AHR (0.52) KDM4EALDH1A1THRBHPGDRAB9A
SCHEMBL18941127 0.81 KMT2A (0.78) KDM4EALDH1A1HPGDRAB9ANPC1
SCHEMBL1586810 0.80 KDM4E (1.00) KDM4EALDH1A1THRBHPGDRAB9A
SCHEMBL18941145 0.80 RAB9A (0.66) ALDH1A1RAB9ANPC1KMT2AMEN1
SCHEMBL18941186 0.80 MAPT (0.72) KDM4ERAB9ANPC1POLBKMT2A
SCHEMBL18263044 0.77 RAB9A (0.57) KDM4EALDH1A1THRBHPGDRAB9A
SCHEMBL18966702 0.77 KMT2A (0.57) KDM4EALDH1A1AKR1C3KMORAB9A

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 8 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
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-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 (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 KDM4E 1466/4885ALDH1A1 1080/4885THRB 2981/4885
US-20170152226-A1 FUNCTIONALISED AND SUBSTITUTED INDOLES AS ANTI-CANCER AGENTS TPM3, TPM4, TNNI3 KDM4E 1403/4885ALDH1A1 1176/4885THRB 2833/4885

“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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