SCHEMBL4945202

SCHEMBL4945202

CCCCCCOc1ccc(/C=C/C(=O)Cl)cc1

nearest known ligand 0.62

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 2/20 0.59
TP53 P04637 1/20 0.55
TSHR P16473 1/20 0.55
PLA2G4B P0C869 1/20 0.54
BCHE P06276 5/20 0.53
ACHE P22303 4/20 0.53
NR5A1 Q13285 1/20 0.53
SAE1 Q9UBE0 1/20 0.52
UBA2 Q9UBT2 1/20 0.52
RARB P10826 3/20 0.51

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
SCHEMBL11697859 1.00 ABCG2 (0.59) ABCG2TP53TSHRPLA2G4BBCHE
SCHEMBL4945207 1.00 ABCG2 (0.59) ABCG2TP53TSHRPLA2G4BBCHE
SCHEMBL10623141 1.00 ABCG2 (0.59) ABCG2TP53TSHRPLA2G4BBCHE
SCHEMBL7897323 1.00 ABCG2 (0.59) ABCG2TP53TSHRPLA2G4BBCHE
SCHEMBL6364344 1.00 ABCG2 (0.59) ABCG2TP53TSHRPLA2G4BBCHE
SCHEMBL10623144 1.00 ABCG2 (0.59) ABCG2TP53TSHRPLA2G4BBCHE
SCHEMBL31553411 1.00 ABCG2 (0.59) ABCG2TP53TSHRPLA2G4BBCHE
SCHEMBL11697853 1.00 ABCG2 (0.59) ABCG2TP53TSHRPLA2G4BBCHE
SCHEMBL7054651 0.89 ABCG2 (0.63) ABCG2SAE1UBA2
SCHEMBL7054652 0.89 ABCG2 (0.63) ABCG2SAE1UBA2

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-7470376-B2 Photochemically active chiral compounds and compositions containing the same INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 2008-12-30 US disclosed
US-7470376-B2 Photochemically active chiral compounds and compositions containing the same INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 2008-12-30 US disclosed
US-7452482-B2 Photochemically active chiral compounds and compositions containing the same INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 2008-11-18 US disclosed
US-7452482-B2 Photochemically active chiral compounds and compositions containing the same INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 2008-11-18 US disclosed
US-20060124899-A1 Photochemically active chiral compounds and compositions containing the same EASTMAN KODAK COMPANY 2006-06-15 US disclosed
US-20060091357-A1 Photochemically active chiral compounds and compositions containing the same IRIS OPTRONICS CO., LTD. (TW) 2006-05-04 US 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-20060091357-A1 Photochemically active chiral compounds and compositions containing the same GNG2, CRY2, CRY1 ABCG2 3576/4885TP53 1656/4885TSHR 4578/4885

“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.