SCHEMBL7203348

SCHEMBL7203348

C#CCCC#COC(=O)CCCCOCC

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.33
EPHX2 P34913 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
MAPT P10636 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
HSD17B10 Q99714 1/20 0.32
DGKA P23743 1/20 0.31
CNR1 P21554 1/20 0.31
CNR2 P34972 1/20 0.31

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
SCHEMBL7202525 0.95 TSHR (0.37) TSHR
SCHEMBL1482994 0.86 CYP1A2 (0.41) CYP1A2CYP2D6MAPTCYP2C9CYP2C19
SCHEMBL11537702 0.84 CYP1A2 (0.44) CYP1A2CYP2D6MAPTCYP2C9CYP2C19
SCHEMBL11538423 0.84 CYP1A2 (0.44) CYP1A2CYP2D6MAPTCYP2C9CYP2C19
SCHEMBL11538435 0.84 CYP1A2 (0.44) CYP1A2CYP2D6MAPTCYP2C9CYP2C19
SCHEMBL11538431 0.82 CYP1A2 (0.36) TSHRCYP1A2CYP2D6MAPTCYP2C9
SCHEMBL4446047 0.79 CYP1A2 (0.34) CYP1A2CYP2D6MAPTCYP2C9CYP2C19
SCHEMBL8945726 0.71 CYP1A2 (0.30) CYP1A2CYP2D6MAPTCYP2C9CYP2C19
SCHEMBL11616036 0.71 DGKA (0.47) TSHREPHX2DGKA
SCHEMBL16418172 0.69 PTPN7 (0.56) EPHX2MAPTDGKA

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-6607868-B2 Dipropargyl acetamide HYNIX SEMICONDUCTOR INC. (KR) 2003-08-19 US disclosed
US-20020012879-A1 Novel photoresist monomers, polymers thereof, and photoresist compositions containing the same HYNIX SEMICONDUCTOR INC. (KR) 2002-01-31 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-20020012879-A1 Novel photoresist monomers, polymers thereof, and photoresist compositions containing the same CDH1, DDAH1, DPEP1 TSHR 4702/4885EPHX2 1270/4885CYP1A2 1854/4885

“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.