SCHEMBL17448265

SCHEMBL17448265

Cc1c(C)n(C(=O)OC(C)(C)C)c2ccc(O)cc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.47
ESR2 Q92731 1/20 0.42
GABRG2 P18507 2/20 0.42
GABRB3 P28472 2/20 0.42
GABRA5 P31644 2/20 0.42
HPGD P15428 4/20 0.41
MAPT P10636 4/20 0.41
GAA P10253 3/20 0.41
KDM4E B2RXH2 2/20 0.41
PKM P14618 2/20 0.41
ALOX15 P16050 2/20 0.41
HSD17B10 Q99714 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
GFER P55789 1/20 0.41
HTT P42858 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40

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
SCHEMBL31666014 0.84 GABRG2 (0.41) GABRG2GABRB3GABRA5HPGDKDM4E
SCHEMBL18941218 0.84 CDK1 (0.49) GABRG2GABRB3GABRA5GAASMN1; SMN2
SCHEMBL21731846 0.84 GABRG2 (0.41) GABRG2GABRB3GABRA5HPGDKDM4E
SCHEMBL8673753 0.83 HTR6 (0.43) HTR6ESR2GABRG2GABRB3GABRA5
SCHEMBL8673748 0.82 PTGS1 (0.60) HTR6MAPTKDM4ECYP1A2CYP2D6
SCHEMBL18906765 0.80 AKR1C3 (0.38) GABRG2GABRB3GABRA5LMNAGABRA1
SCHEMBL27985045 0.80 CHRM2 (0.50) HTR6ESR2GABRG2GABRB3GABRA5
SCHEMBL16741688 0.79 GAA (0.50) ESR2HPGDMAPTGAAKDM4E
SCHEMBL17444720 0.76 AKR1C3 (0.40) GABRG2GABRB3GABRA5HPGDNPSR1
SCHEMBL18966700 0.75 ESR2 (0.43) HTR6ESR2GABRG2GABRB3GABRA5

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 9 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
CN-106661005-A Functionalized and substituted indoles as anticancer agents 诺沃根公司 2017-05-10 CN disclosed
WO-2016187667-A1 FUNCTIONALISED AND SUBSTITUTED INDOLES AS ANTI-CANCER AGENTS NOVOGEN LIMITED (AU) 2016-12-01 WO disclosed
CN-105916841-A Functionalised and substituted indoles as anti-cancer agents 诺沃根公司 2016-08-31 CN 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 HTR6 980/4885ESR2 3685/4885GABRG2 4443/4885
US-20170152226-A1 FUNCTIONALISED AND SUBSTITUTED INDOLES AS ANTI-CANCER AGENTS TPM3, TPM4, TNNI3 HTR6 910/4885ESR2 3514/4885GABRG2 4325/4885

“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.