SCHEMBL17448256

SCHEMBL17448256

Cc1[nH]c2ccc(Cc3ccccc3)cc2c1C

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AHR P35869 1/20 0.52
KDM4E B2RXH2 4/20 0.49
ALDH1A1 P00352 3/20 0.49
HPGD P15428 3/20 0.49
THRB P10828 1/20 0.49
MAPT P10636 7/20 0.48
LMNA P02545 1/20 0.48
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
HCRTR1 O43613 1/20 0.43
GABRA1 P14867 2/20 0.43
GABRB2 P47870 2/20 0.43
GABRB1 P18505 1/20 0.43
GABRA3 P34903 1/20 0.43
POLB P06746 1/20 0.43
PKM P14618 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
TP53 P04637 1/20 0.42
HTT P42858 1/20 0.42

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
SCHEMBL18906764 0.88 MAPT (0.52) AHRKDM4EALDH1A1HPGDTHRB
SCHEMBL17444602 0.83 KDM4E (0.70) KDM4EALDH1A1HPGDTHRBMAPT
SCHEMBL16741878 0.83 KDM4E (0.65) KDM4EALDH1A1HPGDTHRBMAPT
SCHEMBL18889388 0.82 MAPT (0.41) AHRKDM4EALDH1A1HPGDTHRB
SCHEMBL29693067 0.82 MEN1 (0.53) AHRKDM4EALDH1A1HPGDMAPT
SCHEMBL18941134 0.81 MAPT (0.66) KDM4EALDH1A1HPGDTHRBMAPT
SCHEMBL18941314 0.79 MAPT (0.64) KDM4EALDH1A1HPGDTHRBMAPT
SCHEMBL5023941 0.79 MAPT (0.57) AHRKDM4EALDH1A1HPGDTHRB
SCHEMBL18906767 0.78 HCRTR1 (0.43) KDM4EALDH1A1HPGDTHRBMAPT
SCHEMBL12352516 0.78 MAPT (0.47) AHRKDM4EALDH1A1HPGDTHRB

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 2 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
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 AHR 527/4885KDM4E 1403/4885ALDH1A1 1176/4885

“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.