SCHEMBL8087766

SCHEMBL8087766

CSc1[nH]c2ccccc2c1C

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 2/20 0.57
EGFR P00533 3/20 0.48
CHRNA7 P36544 1/20 0.47
DAO P14920 1/20 0.47
DDO Q99489 1/20 0.47
ALDH1A1 P00352 3/20 0.46
HSD17B10 Q99714 2/20 0.46
GPR3 P46089 1/20 0.46
KIF11 P52732 2/20 0.42
CYP1A2 P05177 2/20 0.42
CYP2C19 P33261 1/20 0.42
TNKS2 Q9H2K2 1/20 0.42
MAPT P10636 3/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
POLB P06746 1/20 0.42
PKM P14618 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
CYP11B1 P15538 1/20 0.42
CYP11B2 P19099 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
SCHEMBL11897339 0.81 EGFR (0.55) AHREGFRCHRNA7ALDH1A1HSD17B10
SCHEMBL8087761 0.78 CHRNA7 (0.46) AHREGFRCHRNA7ALDH1A1HSD17B10
SCHEMBL7195762 0.75 AHR (0.70) AHRDAODDOALDH1A1HSD17B10
SCHEMBL30740647 0.74 AHR (0.61) AHRDAODDOALDH1A1HSD17B10
SCHEMBL4980225 0.74 AHR (0.61) AHRDAODDOALDH1A1HSD17B10
SCHEMBL22802322 0.73 AHR (0.46) AHREGFRDAODDOALDH1A1
SCHEMBL29649107 0.73 AHR (0.44) AHREGFRCHRNA7ALDH1A1HSD17B10
SCHEMBL154593 0.73 AHR (1.00) AHRDAODDOALDH1A1HSD17B10
SCHEMBL29420757 0.73 AHR (1.00) AHRDAODDOALDH1A1HSD17B10
SCHEMBL5730262 0.71 MAPT (0.62) AHRALDH1A1HSD17B10GPR3MAPT

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-8569452-B2 Preparation of phalloidin and its derivatives AMERICAN PEPTIDE COMPANY, INC. (US) 2013-10-29 US disclosed
US-8569452-B2 Preparation of phalloidin and its derivatives AMERICAN PEPTIDE COMPANY, INC. (US) 2013-10-29 US disclosed
US-20120214968-A1 Preparation of phalloidin and its derivatives BACHEM AMERICAS, INC. 2012-08-23 US disclosed
US-20120214968-A1 Preparation of phalloidin and its derivatives BACHEM AMERICAS, INC. 2012-08-23 US disclosed
US-20070275886-A1 Phalloidin derivatives and methods for their synthesis REGENTS OF THE UNIVERSITY OF CALIFORNIA, THE 2007-11-29 US disclosed
EP-0555537-B1 Endothelin antagonists BANYU PHARMA CO LTD (JP) 2000-11-02 EP disclosed
US-5496928-A Endothelin antagonistic substance BANYU PHARMACEUTICAL CO., LTD. (JP) 1996-03-05 US disclosed
EP-0555537-A2 Endothelin antagonistic substance BANYU PHARMACEUTICAL CO., LTD. (JP) 1993-08-18 EP 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-20120214968-A1 Preparation of phalloidin and its derivatives ACTB, ACTR3, ACTR5 AHR 4001/4885EGFR 3640/4885CHRNA7 3791/4885

“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.