SCHEMBL5078419

SCHEMBL5078419

CC/C=C/[Sn](CCCC)(CCCC)CCCC

nearest known ligand 0.30

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.30
F7 P08709 1/20 0.30
ADORA3 P0DMS8 1/20 0.30
CYP19A1 P11511 1/20 0.30
F3 P13726 1/20 0.30
RXRA P19793 1/20 0.30
PTGS1 P23219 1/20 0.30
PPARG P37231 1/20 0.30
KMT2A Q03164 1/20 0.30
PPARD Q03181 1/20 0.30
PPARA Q07869 1/20 0.30
OXER1 Q8TDS5 1/20 0.30
LMNA P02545 1/20 0.30
TSHR P16473 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
SCHEMBL3713806 1.00 ALDH1A1 (0.30) ALDH1A1F7ADORA3CYP19A1F3
SCHEMBL725620 0.83 TSHR (0.38) ALDH1A1LMNATSHR
SCHEMBL340710 0.83 TSHR (0.38) ALDH1A1LMNATSHR
SCHEMBL1819117 0.82 F7 (0.39) ALDH1A1F7CYP19A1F3PTGS1
SCHEMBL1819114 0.82 F7 (0.39) ALDH1A1F7CYP19A1F3PTGS1
SCHEMBL8710141 0.82 ALDH1A1 (0.32) ALDH1A1F7CYP19A1F3PTGS1
SCHEMBL8710139 0.82 ALDH1A1 (0.32) ALDH1A1F7CYP19A1F3PTGS1
SCHEMBL317103 0.80 ALDH1A1 (0.33) ALDH1A1F7CYP19A1F3PTGS1
SCHEMBL14937122 0.80 ALDH1A1 (0.32) ALDH1A1TSHR
SCHEMBL317104 0.80 ALDH1A1 (0.33) ALDH1A1F7CYP19A1F3PTGS1

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-1592698-B1 PHOSPHINE COMPOUND, INTERMEDIATE, PALLADIUM-COMPLEX, AND USE THEREOF TAKASAGO PERFUMERY CO LTD (JP) 2008-03-26 EP disclosed
US-7129367-B2 Phosphine compound, its intermediate, its complex with palladium and a manufacturing method of unsaturated compounds by using the palladium complex TAKASAGO INTERNATIONAL CORPORATION (JP) 2006-10-31 US disclosed
US-20060058542-A1 Phosphine compound, its intermediate, its complex with palladium and a manufacturing method of unsaturated compounds by using the palladium complex TAKASAGO INTERNATIONAL CORPORATION (JP) 2006-03-16 US disclosed
EP-0623622-B1 PROCESS FOR PRODUCING CEPHEM COMPOUND OTSUKA KAGAKU KK (JP) 1999-10-06 EP disclosed
US-5656754-A REACTING AN ALLENYL-B-LACTAM COMPOUND WITH AN ORGANOTIN COMPOUND OTSUKA KAGAKU KABUSHIKI KAISHA (JP) 1997-08-12 US disclosed
EP-0623622-A1 PROCESS FOR PRODUCING CEPHEM COMPOUND OTSUKA KAGAKU KABUSHIKI KAISHA (JP) 1994-11-09 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-20060058542-A1 Phosphine compound, its intermediate, its complex with palladium and a manufacturing method of unsaturated compounds by using the palladium complex SQLE, C9, PHOSPHO1 ALDH1A1 2617/4885F7 143/4885ADORA3 2640/4885

“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.