SCHEMBL6283490

SCHEMBL6283490

CCCCNCCC(C)CC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.48
ALDH1A1 P00352 3/20 0.48
CYP3A4 P08684 1/20 0.38
CYP2C19 P33261 2/20 0.36
MEN1 O00255 1/20 0.36
GLA P06280 1/20 0.36
KMT2A Q03164 1/20 0.36
ADH1B P00325 2/20 0.36
ADH1C P00326 2/20 0.36
ADH1A P07327 2/20 0.36
ADH7 P40394 2/20 0.36
CYP1A2 P05177 1/20 0.35
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ADH4 P08319 1/20 0.33
S1PR2 O95136 5/20 0.32
S1PR4 O95977 5/20 0.32
S1PR1 P21453 5/20 0.32
S1PR3 Q99500 5/20 0.32

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
SCHEMBL26564065 1.00 TSHR (0.48) TSHRALDH1A1CYP3A4CYP2C19MEN1
SCHEMBL24831752 1.00 TSHR (0.48) TSHRALDH1A1CYP3A4CYP2C19MEN1
SCHEMBL22644464 0.93 TSHR (0.59) TSHRALDH1A1CYP3A4CYP2C19MEN1
SCHEMBL24003117 0.93 TSHR (0.59) TSHRALDH1A1CYP3A4CYP2C19MEN1
SCHEMBL6280015 0.91 TSHR (0.56) TSHRALDH1A1CYP3A4CYP2C19ADH1B
SCHEMBL14469367 0.91 TSHR (0.56) TSHRALDH1A1CYP3A4CYP2C19ADH1B
SCHEMBL6285476 0.91 TSHR (0.56) TSHRALDH1A1CYP3A4CYP2C19ADH1B
SCHEMBL6285010 0.91 TSHR (0.56) TSHRALDH1A1CYP3A4CYP2C19ADH1B
SCHEMBL20906860 0.91 TSHR (0.48) TSHRALDH1A1CYP3A4CYP2C19MEN1
SCHEMBL22421817 0.88 TSHR (0.52) TSHRALDH1A1CYP3A4CYP2C19MEN1

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
EP-4279476-A1 METHOD FOR ALKYLATING ACIDIC FUNCTIONAL GROUP CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2023-11-22 EP disclosed
WO-2022040002-A1 METHODS AND COMPOSITIONS FOR TARGETING PD-L1 ALIGOS THERAPEUTICS, INC. (US) 2022-02-24 WO disclosed
CN-1284626-C Fluorinated zwitterionic cocatalyst activators for olefin polymerization EXXONMOBIL CHEM PATENTS INC (US) 2006-11-15 CN disclosed
US-6919291-B2 Fluorinated zwitterionic cocatalyst activators for olefin polymerization EXXONMOBIL CHEMICAL PATENTS INC. (US) 2005-07-19 US disclosed
US-20040110631-A1 Fluorinated zwitterionic cocatalyst activators for olefin polymerization EXXONMOBIL CHEMICAL PATENTS INC. 2004-06-10 US disclosed
CN-1477995-A Fluorinated zwitterionic cocatalyst activators for olefin polymerization 埃克森美孚化学专利公司 2004-02-25 CN 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-20040110631-A1 Fluorinated zwitterionic cocatalyst activators for olefin polymerization FZD7, FOS, COG4 TSHR 4247/4885ALDH1A1 3691/4885CYP3A4 1344/4885

“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.