SCHEMBL2503547

SCHEMBL2503547

COC(=O)C(CC(C)C)NCCCCCNC(CC(C)C)C(=O)OC

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 1/20 0.44
TAS1R3 Q7RTX0 8/20 0.44
TAS1R1 Q7RTX1 8/20 0.44
BIRC2 Q13490 3/20 0.42
POLB P06746 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.40
CYP2C9 P11712 1/20 0.40
NPR3 P17342 1/20 0.40
CYP2C19 P33261 1/20 0.40
MME P08473 1/20 0.39
BCHE P06276 1/20 0.38

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
SCHEMBL3957111 0.93 BIRC2 (0.49) FOLH1TAS1R3TAS1R1BIRC2BCHE
SCHEMBL3957109 0.93 BIRC2 (0.49) FOLH1TAS1R3TAS1R1BIRC2BCHE
SCHEMBL3956295 0.93 BIRC2 (0.49) FOLH1TAS1R3TAS1R1BIRC2BCHE
SCHEMBL27589188 0.89 FOLH1 (0.42) FOLH1TAS1R3TAS1R1BIRC2POLB
SCHEMBL6821759 0.89 FOLH1 (0.42) FOLH1TAS1R3TAS1R1BIRC2POLB
SCHEMBL3962360 0.89 BCHE (0.49) FOLH1TAS1R3TAS1R1BIRC2BCHE
SCHEMBL6821567 0.89 FOLH1 (0.42) FOLH1TAS1R3TAS1R1BIRC2POLB
SCHEMBL3962361 0.89 BCHE (0.49) FOLH1TAS1R3TAS1R1BIRC2BCHE
SCHEMBL11932570 0.89 FOLH1 (0.46) FOLH1TAS1R3TAS1R1BIRC2POLB
SCHEMBL13360911 0.87 POLB (0.42) FOLH1TAS1R3TAS1R1BIRC2POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110245351-A1 MEDICAL ADHESIVE FOR SURGERY BAYER MATERIALSCIENCE AG (DE) 2011-10-06 US disclosed
US-20110245351-A1 MEDICAL ADHESIVE FOR SURGERY BAYER MATERIALSCIENCE AG (DE) 2011-10-06 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-20110245351-A1 MEDICAL ADHESIVE FOR SURGERY ICAM1, EPCAM, PTK2 FOLH1 1132/4885TAS1R3 616/4885TAS1R1 980/4885

“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.