SCHEMBL18906772

SCHEMBL18906772

Cc1[nH]c2ccc(Oc3ccc(OC=O)cc3)cc2c1C

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.44
▸ KDM4E B2RXH2 3/20 0.44
▸ HPGD P15428 3/20 0.44
▸ THRB P10828 1/20 0.44
▸ MAPT P10636 7/20 0.43
▸ HCRTR1 O43613 1/20 0.43
▸ MEN1 O00255 4/20 0.42
▸ KMT2A Q03164 4/20 0.42
▸ RAB9A P51151 3/20 0.42
▸ TP53 P04637 1/20 0.40
▸ AHR P35869 1/20 0.39
▸ AKR1C2 P52895 1/20 0.38
▸ POLB P06746 2/20 0.38
▸ GFER P55789 3/20 0.38
▸ TSHR P16473 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ NPC1 O15118 2/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37

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
SCHEMBL18906767 0.82 HCRTR1 (0.43) ALDH1A1KDM4EHPGDTHRBMAPT
SCHEMBL28364130 0.81 AHR (0.52) ALDH1A1KDM4EHPGDTHRBMAPT
SCHEMBL17444569 0.78 KDM4E (0.70) ALDH1A1KDM4EHPGDTHRBMAPT
SCHEMBL18263044 0.76 RAB9A (0.57) ALDH1A1KDM4EHPGDTHRBMAPT
SCHEMBL4374342 0.74 ALDH1A1 (0.68) ALDH1A1KDM4EHPGDMAPTMEN1
SCHEMBL17444608 0.72 KDM4E (0.65) ALDH1A1KDM4EHPGDTHRBMAPT
SCHEMBL18889429 0.71 AHR (0.40) ALDH1A1KDM4EHPGDTHRBMAPT
SCHEMBL9809027 0.71 ALDH1A1 (0.41) ALDH1A1KDM4EHPGDMAPTMEN1
SCHEMBL5049780 0.71 ALDH1A1 (0.41) ALDH1A1KDM4EHPGDMAPTMEN1
SCHEMBL18941237 0.71 KMT2A (0.66) ALDH1A1KDM4EHPGDTHRBMAPT

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 1 patent. 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

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 ALDH1A1 1176/4885KDM4E 1403/4885HPGD 1136/4885

“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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