SCHEMBL21982916

SCHEMBL21982916

CCC(C)(C)OC(=O)CCCC(N)=O

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.38
CYP1A2 P05177 2/20 0.35
SOAT1 P35610 2/20 0.33
MEN1 O00255 1/20 0.33
FAAH O00519 1/20 0.33
TP53 P04637 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C19 P33261 1/20 0.33
KMT2A Q03164 1/20 0.33
CNR1 P21554 1/20 0.32
DGKA P23743 1/20 0.31
ALDH1A1 P00352 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
KDM4E B2RXH2 2/20 0.31
MAOA P21397 1/20 0.30
MAOB P27338 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
SCHEMBL23072802 0.90 TSHR (0.32) TSHRCYP1A2SOAT1MEN1FAAH
SCHEMBL19821838 0.84 TSHR (0.60) TSHRMEN1KMT2AALDH1A1TDP1
SCHEMBL19557755 0.84 CYP1A2 (0.53) TSHRCYP1A2MEN1KMT2ACNR1
SCHEMBL25711507 0.84 TSHR (0.52) TSHRMEN1KMT2AALDH1A1TDP1
SCHEMBL11509336 0.83 CES1 (0.42) TSHRTP53DGKAALDH1A1
SCHEMBL142215 0.83 TSHR (0.39) TSHRALDH1A1TDP1
SCHEMBL27544213 0.82 CYP1A2 (0.52) TSHRCYP1A2CYP3A4KMT2ADGKA
SCHEMBL9847901 0.82 TSHR (0.37) TSHRCYP1A2DGKAALDH1A1TDP1
SCHEMBL8162633 0.82 DGKA (0.50) TSHRFAAHDGKAALDH1A1
SCHEMBL6050144 0.81 TSHR (0.42) TSHRCYP1A2SOAT1MEN1FAAH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11773266-B2 Polymer, molded body, foam, resin composition, and production method for polymer SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2023-10-03 US disclosed
US-20230129965-A1 HYDROPHILIC AND OLEOPHOBIC POLYMER SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2023-04-27 US disclosed
US-10647698-B2 Tetrahydronaphthalene and tetrahydroisoquinoline derivatives as estrogen receptor degraders ARVINAS OPERATIONS, INC. (US) 2020-05-12 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-10647698-B2 Tetrahydronaphthalene and tetrahydroisoquinoline derivatives as estrogen receptor degraders MDM2, CRBN, VHL TSHR 2675/4885CYP1A2 1874/4885SOAT1 4079/4885

“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.