SCHEMBL8970230

SCHEMBL8970230

CC(C)(C)OC1CCCC1O

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NPY1R P25929 1/20 0.42
NPY2R P49146 1/20 0.42
NPY4R P50391 1/20 0.42
NPY5R Q15761 1/20 0.42
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA4 P22748 1/20 0.39
GSR P00390 2/20 0.38

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
SCHEMBL17471297 1.00 NPY1R (0.42) NPY1RNPY2RNPY4RNPY5RCA1
SCHEMBL8970399 0.95 NPY1R (0.46) NPY1RNPY2RNPY4RNPY5RCA1
SCHEMBL17471295 0.95 NPY1R (0.46) NPY1RNPY2RNPY4RNPY5RCA1
SCHEMBL8970178 0.93 NPY1R (0.44) NPY1RNPY2RNPY4RNPY5RCA1
SCHEMBL8969255 0.93 NPY1R (0.44) NPY1RNPY2RNPY4RNPY5RCA1
SCHEMBL20995896 0.82
SCHEMBL10795958 0.77 NPY1R (0.40) NPY1RNPY2RNPY4RNPY5RCA1
SCHEMBL21049870 0.76 NPY1R (0.31) NPY1RNPY2RNPY4RNPY5R
SCHEMBL11930090 0.75 CA1 (0.31) CA1CA2CA4
SCHEMBL773316 0.72

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118422226-A Preparation method of various far Cheng Fang aminated aldehydes 哈尔滨工业大学(深圳)(哈尔滨工业大学深圳科技创新研究院) 2024-08-02 CN claimed
CN-118422226-A Preparation method of various far Cheng Fang aminated aldehydes 哈尔滨工业大学(深圳)(哈尔滨工业大学深圳科技创新研究院) 2024-08-02 CN disclosed
US-20140161729-A1 COFLUORONS AND METHODS OF MAKING AND USING THEM CORNELL UNIVERSITY (US) 2014-06-12 US disclosed
CN-1113841-C Cyclopentene oxidizing process for synthesizing glutaraldehyde QILU PETROCHEMICAL CO SINOPEC (CN) 2003-07-09 CN disclosed
CN-1348948-A Cyclopentene oxidizing process for synthesizing glutaraldehyde QILU PETROCHEMICAL CO CHINA (CN) 2002-05-15 CN disclosed
EP-0376294-B1 Optically active compounds, liquid crystal compositions comprising said compounds, and liquid crystal optical modulators using said compositions HITACHI LTD (JP) 1996-03-13 EP disclosed
US-5370821-A Optically active compounds, liquid crystal compositions comprising said compounds, and liquid crystal optical modulators using said compositions TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1994-12-06 US disclosed
US-5269965-A Optically active compounds, liquid crystal compositions comprising said compounds and liquid crystal optical modulators using said compositions TAKEDA CHEMICAL INDUSTRIES (JP) 1993-12-14 US disclosed
EP-0376294-A1 Optically active compounds, liquid crystal compositions comprising said compounds, and liquid crystal optical modulators using said compositions HITACHI, LTD. (JP) 1990-07-04 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-20140161729-A1 COFLUORONS AND METHODS OF MAKING AND USING THEM TNFSF11, CD14, TNFRSF1A NPY1R 2803/4885NPY2R 3541/4885NPY4R 2233/4885

“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.