SCHEMBL4172855

SCHEMBL4172855

C[C@]1(OCc2ccccc2)C(=O)N[C@H]1CF

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
MMP13 P45452 2/20 0.40
MMP2 P08253 1/20 0.40
CREBBP Q92793 4/20 0.37
BRD4 O60885 3/20 0.37
TNKS2 Q9H2K2 2/20 0.35
IDO1 P14902 1/20 0.34
MMP14 P50281 1/20 0.34
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34

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
SCHEMBL4168108 0.78 ALDH1A1 (0.37) ALDH1A1MMP13MMP2CREBBPBRD4
SCHEMBL15974215 0.67 ALDH1A1 (0.56) ALDH1A1MMP13MMP2MMP14
SCHEMBL4172756 0.66 HSD11B1 (0.50)
SCHEMBL12310817 0.65 CTSV (0.39) ALDH1A1IDO1
SCHEMBL7357415 0.65 LMNA (0.39) ALDH1A1
SCHEMBL21426013 0.65 ALDH1A1 (0.41) ALDH1A1MMP13MMP2
SCHEMBL12243142 0.64 ALDH1A1 (0.37) ALDH1A1MMP13MMP2IDO1
SCHEMBL23705024 0.64 ALDH1A1 (0.46) ALDH1A1MMP13MMP2MAOB
SCHEMBL4182846 0.62 BCHE (0.59) ALDH1A1IDO1MAOAMAOB
SCHEMBL28939587 0.62 ALDH1A1 (0.41) ALDH1A1IDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090186868-A1 Taxane Compound Having Azetidine Ring Structure DAIICHI SANKYO COMPANY LIMITED (JP) 2009-07-23 US disclosed
US-20090186868-A1 Taxane Compound Having Azetidine Ring Structure DAIICHI SANKYO COMPANY LIMITED (JP) 2009-07-23 US disclosed
US-20090186868-A1 Taxane Compound Having Azetidine Ring Structure DAIICHI SANKYO COMPANY LIMITED (JP) 2009-07-23 US disclosed
EP-1942109-A1 TAXANE COMPOUND WITH AZETIDINE RING STRUCTURE Daiichi Sankyo Company, Limited (JP) 2008-07-09 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-20090186868-A1 Taxane Compound Having Azetidine Ring Structure ABCC1, AZI2, TPD52L2 ALDH1A1 664/4885MMP13 4170/4885MMP2 1807/4885

“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.