SCHEMBL3965678

SCHEMBL3965678

CN(C)Pc1ccccc1PN(C)C

nearest known ligand 0.32

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.32
ALDH1A1 P00352 1/20 0.32
KCNN4 O15554 1/20 0.32
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
HTT P42858 1/20 0.31
CARM1 Q86X55 1/20 0.30
PRMT6 Q96LA8 1/20 0.30
PRMT8 Q9NR22 1/20 0.30
TNNI3 P19429 1/20 0.30
TNNT2 P45379 1/20 0.30
TNNC1 P63316 1/20 0.30
ACHE P22303 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
SCHEMBL6289830 0.73 TSHR (0.36) TSHRALDH1A1KCNN4MEN1KMT2A
SCHEMBL28246803 0.71 TSHR (0.35) TSHRALDH1A1KCNN4MEN1KMT2A
Biphenyl SCHEMBL27328558 0.67 ALDH1A1 (0.45) ALDH1A1
SCHEMBL3961409 0.64
SCHEMBL7894960 0.62 TSHR (0.35) TSHRACHE
SCHEMBL28199155 0.61 KDM4E (0.35) ALDH1A1ACHE
Naphthalene SCHEMBL7719483 0.58 CYP2A6 (0.67) TSHRALDH1A1KCNN4
SCHEMBL24689945 0.56 TAAR1 (0.35) TSHRALDH1A1ACHE
SCHEMBL146928 0.56 TSHR (0.53) TSHRALDH1A1HTTACHE
SCHEMBL30096503 0.56 TAAR1 (0.35) TSHRALDH1A1ACHE

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
EP-1692149-B1 METHOD FOR PRODUCING ORTHOMETALATED AND ORTHOSUBSTITUTED AROMATIC COMPOUNDS SOLVIAS AG (CH) 2009-07-22 EP disclosed
US-7435840-B2 Method for producing orthometalated and orthosubstituted metallocenes SOLVIAS AG (CH) 2008-10-14 US disclosed
US-20070149796-A1 Ortho-functionalized mono- and diphosphino- ferrocenes, bisindenylferrocenes and ruthenocenes and their borane complex intermediates; valuable ligands for metal complexes serving as catalysts for, e.g. enantioselective hydrogenations SOLVIAS AG (CH) 2007-06-28 US disclosed
EP-1692149-A2 METHOD FOR PRODUCING ORTHOMETALATED AND ORTHOSUBSTITUTED AROMATIC COMPOUNDS Solvias AG (CH) 2006-08-23 EP disclosed
WO-2005056566-A2 METHOD FOR PRODUCING ORTHOMETALATED AND ORTHOSUBSTITUTED AROMATIC COMPOUNDS SOLVIAS AG (CH) 2005-06-23 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-20070149796-A1 Ortho-functionalized mono- and diphosphino- ferrocenes, bisindenylferrocenes and ruthenocenes and their borane complex intermediates; valuable ligands for metal complexes serving as catalysts for, e.g. enantioselective hydrogenations BCL3, ORC3, BBC3 TSHR 3700/4885ALDH1A1 4406/4885KCNN4 97/4885

“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.