SCHEMBL1855993

SCHEMBL1855993

COC(=O)C(CCCc1ccccc1)CCc1ccc(Oc2ccc(F)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.49
EPHX2 P34913 2/20 0.49
MMP2 P08253 3/20 0.45
MMP3 P08254 1/20 0.45
LMNA P02545 1/20 0.44
PLAAT3 P53816 1/20 0.44
PLAAT5 Q96KN8 1/20 0.44
PLAAT2 Q9NWW9 1/20 0.44
PLAAT4 Q9UL19 1/20 0.44
ALDH1A1 P00352 1/20 0.44
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
PPARG P37231 1/20 0.43
MMP12 P39900 1/20 0.43
MMP13 P45452 1/20 0.43
CA12 O43570 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42
NPC1 O15118 1/20 0.42

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
SCHEMBL1856368 0.93 PLAAT3 (0.50) EPHX2MMP2MMP3PLAAT3PLAAT5
SCHEMBL3466571 0.90 MMP2 (0.48) MMP2MMP3LMNAALDH1A1KMT2A
SCHEMBL1855703 0.90 ALDH1A1 (0.54) MMP2MMP3PLAAT3PLAAT5PLAAT2
SCHEMBL1862136 0.88 LTA4H (0.50) LTA4HEPHX2MMP2MMP3LMNA
SCHEMBL1857332 0.87 LTA4H (0.52) LTA4HEPHX2MMP2MMP3PLAAT3
SCHEMBL1858392 0.86 ALDH1A1 (0.57) MMP2MMP3PLAAT3PLAAT5PLAAT2
SCHEMBL1859940 0.86 GRIK1 (0.51) MMP2MMP3LMNAKMT2A
SCHEMBL1855203 0.85 CTSG (0.47) MMP2MMP3LMNAPLAAT3PLAAT5
SCHEMBL1858600 0.83 GRIK1 (0.54) MMP2MMP3LMNAKMT2ANPC1
SCHEMBL1865673 0.83 LTA4H (0.55) LTA4HEPHX2MMP2MMP3MMP12

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-20110105544-A1 CARBOXYLIC DERIVATIVES FOR USE IN THE TREATMENT OF CANCER CRYSTAX PHARMACEUTICALS, S.L. (ES) 2011-05-05 US disclosed
WO-2009080722-A2 CARBOXYLIC DERIVATIVES FOR USE IN THE TREATMENT OF CANCER CRYSTAX PHARMACEUTICALS, S.L. (ES) 2009-07-02 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-20110105544-A1 CARBOXYLIC DERIVATIVES FOR USE IN THE TREATMENT OF CANCER AKR1C3, TPD52L2, HCCS LTA4H 2258/4885EPHX2 1919/4885MMP2 2326/4885

“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.