SCHEMBL4877987

SCHEMBL4877987

C=CCCN(Cl)CCC=C

nearest known ligand 0.35

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.35
ALDH1A1 P00352 2/20 0.32

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
SCHEMBL4775369 0.72 TSHR (0.39) TSHRALDH1A1
SCHEMBL182469 0.67
SCHEMBL1243018 0.67 TSHR (0.42) TSHRALDH1A1
SCHEMBL1449926 0.65
SCHEMBL15011668 0.65 MAPT (0.39) TSHRALDH1A1
SCHEMBL10581677 0.65 TSHR (0.33) TSHRALDH1A1
Hydrochloric Acid SCHEMBL6271378 0.65
SCHEMBL5686826 0.65
SCHEMBL7141375 0.65
SCHEMBL23732 0.64

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9873671-B2 Azepane derivatives and methods of treating hepatitis B infections NOVIRA THERAPEUTICS, INC. (US) 2018-01-23 US disclosed
US-20170015629-A1 AZEPANE DERIVATIVES AND METHODS OF TREATING HEPATITIS B INFECTIONS NOVIRA THERAPEUTICS, INC. 2017-01-19 US disclosed
US-7344818-B2 Method for producing toner and an image forming method employing the toner KONICA MINOLTA BUSINESS TECHNOLOGIES, INC. (JP) 2008-03-18 US disclosed
US-20050014084-A1 Method for producing toner and an image forming method employing the toner KONICA MINOLTA BUSINESS TECHNOLOGIES, INC. (JP) 2005-01-20 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-20170015629-A1 AZEPANE DERIVATIVES AND METHODS OF TREATING HEPATITIS B INFECTIONS HAVCR2, HDGF, AZI2 TSHR 3422/4885ALDH1A1 2038/4885

“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.