SCHEMBL5382076

SCHEMBL5382076

CCCCCCCCCC(CCCCCCCC)(CCCCCCCC)NC

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.44
THRB P10828 1/20 0.44
EPHX1 P07099 1/20 0.43
GGPS1 O95749 6/20 0.39
FDPS P14324 9/20 0.38
SMPD1 P17405 2/20 0.37
CES2 O00748 1/20 0.37
LPAR1 Q92633 1/20 0.37
LPAR3 Q9UBY5 1/20 0.37

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
SCHEMBL2227498 1.00 TSHR (0.44) TSHRTHRBEPHX1GGPS1FDPS
Hydrochloric Acid SCHEMBL27970377 0.97 TSHR (0.42) TSHRTHRBEPHX1GGPS1FDPS
Hydrochloric Acid SCHEMBL22577656 0.97 TSHR (0.42) TSHRTHRBEPHX1GGPS1FDPS
Hydrochloric Acid SCHEMBL31467543 0.97 TSHR (0.42) TSHRTHRBEPHX1GGPS1FDPS
Hydrochloric Acid SCHEMBL31467545 0.97 TSHR (0.42) TSHRTHRBEPHX1GGPS1FDPS
SCHEMBL21632770 0.90 TSHR (0.40) TSHRTHRBEPHX1GGPS1FDPS
SCHEMBL2598044 0.89 LMNA (0.44) TSHREPHX1GGPS1FDPSSMPD1
SCHEMBL10815035 0.89 LMNA (0.44) TSHREPHX1GGPS1FDPSSMPD1
Hydrochloric Acid SCHEMBL6866773 0.87 LMNA (0.42) TSHREPHX1GGPS1FDPSSMPD1
SCHEMBL11095050 0.86 EPHX1 (0.36) TSHRTHRBEPHX1GGPS1FDPS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7169863-B2 Salts of lewis acid/acid adducts and catalyst activators therefrom DOW GLOBAL TECHNOLOGIES INC. (US) 2007-01-30 US disclosed
US-20040162215-A1 Salts of lewis acid/acid adducts and catalyst activators therefrom THE DOW CHEMICAL COMPANY 2004-08-19 US disclosed
EP-1412365-A1 SALT OF LEWIS ACID/ACID ADDUCTS AND CATALYST ACTIVATORS THEREFROM DOW GLOBAL TECHNOLOGIES INC. (US) 2004-04-28 EP disclosed
US-6727329-B2 USEFUL IN SOLUTION, GAS PHASE, SLURRY AND CATIONIC POLYMERIZATION OF OLEFINS DOW GLOBAL TECHNOLOGY INC. 2004-04-27 US disclosed
US-20030032549-A1 Salts of lewis acid/acid adducts and catalyst activators therefrom DOW GLOBAL TECHNOLOGIES INC. 2003-02-13 US disclosed
WO-2003010171-A1 SALT OF LEWIS ACID/ACID ADDUCTS AND CATALYST ACTIVATORS THEREFROM DOW GLOBAL TECHNOLOGIES, INC. (US) 2003-02-06 WO 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-20030032549-A1 Salts of lewis acid/acid adducts and catalyst activators therefrom SSB, NCF1, CD79B TSHR 2471/4885THRB 3906/4885EPHX1 4059/4885

“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.