SCHEMBL21339809

SCHEMBL21339809

C=CC(=O)OCCCCOc1ccc(C#Cc2ccc(NC(=O)C(=O)Nc3ccc(/N=N/c4ccc(OCCCCOC(=O)C=C)cc4)cc3)c(C(F)(F)F)c2)cc1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 3/20 0.37
PTPN6 P29350 2/20 0.34
PTPN11 Q06124 2/20 0.34
THRB P10828 1/20 0.34
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
CA7 P43166 2/20 0.33
CA9 Q16790 2/20 0.33
EPHX2 P34913 1/20 0.33
EGFR P00533 2/20 0.32
LMNA P02545 1/20 0.32
SERPINE1 P05121 1/20 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
SCHEMBL21339804 0.91 THRB (0.40) PTPN1THRBCYP1A2CYP3A4CYP2C9
SCHEMBL21339800 0.84 CYP1A2 (0.38) THRBCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL20883275 0.83 CYP1A2 (0.42) THRBCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL20883274 0.83 CYP1A2 (0.42) THRBCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL21339801 0.83 ACACB (0.40) THRBCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL21339807 0.82 THRB (0.36) PTPN1THRBCYP1A2CYP3A4CYP2C9
SCHEMBL21339970 0.81 PPARG (0.42) THRBCYP3A4CYP2C9CYP2C19EGFR
SCHEMBL21339976 0.79 EGFR (0.32) THRBCYP3A4EGFR
SCHEMBL24827451 0.78 CYP1A2 (0.40) THRBCYP1A2CYP2C19CA1CA2
SCHEMBL19773579 0.78 THRB (0.43) THRBCYP3A4

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-10907099-B2 Compound, composition, cured object, optically anisotropic body, and reflective film FUJIFILM CORPORATION (JP) 2021-02-02 US disclosed
US-20190276743-A1 COMPOUND, COMPOSITION, CURED OBJECT, OPTICALLY ANISOTROPIC BODY, AND REFLECTIVE FILM FUJIFILM CORPORATION (JP) 2019-09-12 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-10907099-B2 Compound, composition, cured object, optically anisotropic body, and reflective film CFL1, ADCY10, ADCY1 PTPN1 4121/4885PTPN6 4360/4885PTPN11 4303/4885

“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.