SCHEMBL8640638

SCHEMBL8640638

CCN(CC)CC(O)C(C)(C)C

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.50
NPY1R P25929 1/20 0.32
NPY2R P49146 1/20 0.32
PLA2G1B P04054 1/20 0.31
PLA2G2A P14555 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
ALDH1A1 P00352 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2D6 P10635 1/20 0.30
RAD52 P43351 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
SCHEMBL11248014 0.77 CYP2C19 (0.35) TSHRNPY1RNPY2RPLA2G1BPLA2G2A
SCHEMBL25178946 0.77 CETP (0.40) TSHRNPY1RNPY2RPLA2G1BPLA2G2A
SCHEMBL11996520 0.77 TSHR (0.48) TSHR
SCHEMBL19061169 0.75 LMNA (0.35) TSHRL3MBTL1
SCHEMBL16597197 0.74 PLA2G1B (0.37) TSHRNPY1RNPY2RPLA2G1BPLA2G2A
SCHEMBL20243280 0.73 TSHR (0.44) TSHR
SCHEMBL12891039 0.72 TSHR (0.48) TSHRALDH1A1CYP2D6
SCHEMBL12712359 0.72 TSHR (0.48) TSHRALDH1A1CYP2D6
SCHEMBL14279092 0.72 PLA2G1B (0.33) PLA2G1BPLA2G2A
SCHEMBL12712358 0.72 TSHR (0.48) TSHRALDH1A1CYP2D6

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
US-9994593-B2 Copper compound, starting material for forming thin film, and method for manufacturing thin film ADEKA CORPORATION (JP) 2018-06-12 US disclosed
EP-3144313-A1 COBALT COMPOUND, RAW MATERIAL FOR FORMING THIN FILM, AND METHOD FOR PRODUCING THIN FILM Adeka Corporation (JP) 2017-03-22 EP disclosed
US-20170050998-A1 COBALT COMPOUND, THIN FILM-FORMING RAW MATERIAL, AND METHOD FOR PRODUCING THIN FILM ADEKA CORPORATION (JP) 2017-02-23 US disclosed
EP-0563557-B1 Volatile rate earth metal alkoxides, especially for the preparation of rare earth metal oxides, and alcohols for the synthesis of volatile compounds PATENT TREUHAND GES FUER ELEKTRISCHE GLUEHLAMPEN MBH (DE) 1998-08-12 EP disclosed
EP-0563557-A2 Volatile rate earth metal alkoxides, especially for the preparation of rare earth metal oxides, and alcohols for the synthesis of volatile compounds Patent-Treuhand-Gesellschaft für elektrische Glühlampen mbH (DE) 1993-10-06 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-20170050998-A1 COBALT COMPOUND, THIN FILM-FORMING RAW MATERIAL, AND METHOD FOR PRODUCING THIN FILM C5, C9, TFRC TSHR 4507/4885NPY1R 2749/4885NPY2R 3062/4885

“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.