SCHEMBL1865673

SCHEMBL1865673

COC(=O)C(CCCc1ccccc1)CCc1ccc(OCc2ccccc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 3/20 0.55
EPHX2 P34913 1/20 0.55
EPOR P19235 1/20 0.54
FFAR1 O14842 1/20 0.53
FFAR4 Q5NUL3 1/20 0.53
MMP2 P08253 1/20 0.53
MMP3 P08254 1/20 0.53
BCHE P06276 3/20 0.53
MMP12 P39900 1/20 0.53
SIGMAR1 Q99720 1/20 0.51
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
ALOX5 P09917 1/20 0.50
LTB4R Q15722 1/20 0.48
LTB4R2 Q9NPC1 1/20 0.48

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
SCHEMBL1857509 0.93 F2 (0.50) LTA4HEPHX2EPORFFAR1FFAR4
SCHEMBL1860489 0.89 GPR132 (0.51) LTA4HEPORMMP2MMP3RAB9A
SCHEMBL1858392 0.88 ALDH1A1 (0.57) MMP2MMP3SIGMAR1NPC1RAB9A
SCHEMBL1859940 0.88 GRIK1 (0.51) MMP2MMP3SMN1; SMN2
SCHEMBL1857891 0.88 MAOB (0.49) LTA4HEPORFFAR1MMP2MMP3
SCHEMBL1856368 0.87 PLAAT3 (0.50) EPHX2FFAR1MMP2MMP3MMP12
SCHEMBL1856222 0.87 OPRK1 (0.49) SIGMAR1
SCHEMBL1856449 0.87 LTA4H (0.60) LTA4HEPHX2FFAR1FFAR4MMP2
SCHEMBL1856529 0.86 LTA4H (0.50) LTA4HEPHX2FFAR1FFAR4MMP2
SCHEMBL3467000 0.85 MMP12 (0.51) FFAR1FFAR4MMP2MMP3MMP12

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 3 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-2010070076-A1 ALKANOIC ACID DERIVATIVES AND THEIR THERAPEUTIC USE AS HDAC INHIBITORS CRYSTAX PHARMACEUTICALS, S.L. (ES) 2010-06-24 WO 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 1919/4885EPOR 450/4885

“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.