SCHEMBL7060746

SCHEMBL7060746

CCCCCC(C#N)OC

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.40
OPRM1 P35372 1/20 0.37
ZDHHC7 Q9NXF8 1/20 0.35
LMNA P02545 1/20 0.34
DNM1 Q05193 2/20 0.33
SMPD1 P17405 3/20 0.32
FDPS P14324 3/20 0.32
THRB P10828 1/20 0.32
GPR84 Q9NQS5 2/20 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
SCHEMBL22444541 0.98 TSHR (0.39) TSHROPRM1ZDHHC7LMNADNM1
SCHEMBL22444421 0.98 TSHR (0.39) TSHROPRM1ZDHHC7LMNADNM1
SCHEMBL22444472 0.98 TSHR (0.39) TSHROPRM1ZDHHC7LMNADNM1
SCHEMBL8468820 0.98 TSHR (0.39) TSHROPRM1ZDHHC7LMNADNM1
SCHEMBL22444437 0.98 TSHR (0.39) TSHROPRM1ZDHHC7LMNADNM1
SCHEMBL14659914 0.93
SCHEMBL556891 0.85
SCHEMBL16926970 0.83 TSHR (0.42) TSHROPRM1ZDHHC7LMNADNM1
SCHEMBL22444505 0.79 OPRM1 (0.41) TSHROPRM1ZDHHC7LMNADNM1
SCHEMBL22444561 0.77 OPRM1 (0.39) TSHROPRM1ZDHHC7LMNADNM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113574041-A Method for producing bisphenol and method for producing polycarbonate resin 三菱化学株式会社 2021-10-29 CN disclosed
WO-2020189201-A1 METHOD FOR PRODUCING BISPHENOL AND METHOD FOR PRODUCING POLYCARBONATE RESIN 三菱ケミカル株式会社 2020-09-24 WO disclosed
US-20040171864-A1 Fluorinated aromatics LANXESS DEUTSCHLAND GMBH (DE) 2004-09-02 US disclosed
EP-1431279-A2 Fluoride containing aromatic compounds Bayer Chemicals AG (DE) 2004-06-23 EP disclosed
EP-0894812-A1 Reinforcing graft polymers made in perfluorocarbon fluids BASF CORPORATION (US) 1999-02-03 EP 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-20040171864-A1 Fluorinated aromatics AFF1, AFF2, AFF4 TSHR 2226/4885OPRM1 2978/4885ZDHHC7 3345/4885

“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.