SCHEMBL17123734

SCHEMBL17123734

Cc1cc2c(C)c(C)c(C)c(C)c2s1

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL821690 0.89 PKM (0.39) PKMNPSR1RXFP1ALDH1A1
SCHEMBL12892777 0.89 PKM (0.39) PKMNPSR1RXFP1ALDH1A1
SCHEMBL17123735 0.83 PKM (0.33) PKMNPSR1RXFP1
SCHEMBL18405863 0.82 PKM (0.35) PKMNPSR1RXFP1
SCHEMBL21166582 0.78 PKM (0.33) PKMNPSR1RXFP1
SCHEMBL825761 0.77 PKM (0.37) PKMNPSR1RXFP1ALDH1A1
SCHEMBL15276705 0.77 PKM (0.36) PKMNPSR1RXFP1
SCHEMBL15279609 0.77 PKM (0.32) PKMNPSR1RXFP1
SCHEMBL1105094 0.75 PKM (0.32) PKMNPSR1RXFP1
SCHEMBL19097324 0.75 PKM (0.35) PKMNPSR1RXFP1ALDH1A1

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-9777096-B2 Polymerizable compound, polymerizable composition, polymer, and optical anisotropic body ZEON CORPORATION (JP) 2017-10-03 US disclosed
US-20150274872-A1 POLYMERIZABLE COMPOUND, POLYMERIZABLE COMPOSITION, POLYMER, AND OPTICAL ANISOTROPIC BODY ZEON CORPORATION (JP) 2015-10-01 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-20150274872-A1 POLYMERIZABLE COMPOUND, POLYMERIZABLE COMPOSITION, POLYMER, AND OPTICAL ANISOTROPIC BODY CCNA1, UACA, CCNT1 PKM 1737/4885NPSR1 4560/4885RXFP1 583/4885

“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.