SCHEMBL1859538

SCHEMBL1859538

O=C(O)C(CCCc1cccc2ccccc12)CCc1ccc(-c2cccnc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MMP12 P39900 2/20 0.47
CYP2C9 P11712 1/20 0.44
FLT3 P36888 5/20 0.43
ALDH1A1 P00352 1/20 0.42
MMP2 P08253 1/20 0.41
MMP3 P08254 1/20 0.41
DHODH Q02127 1/20 0.41
MKNK1 Q9BUB5 2/20 0.40
MKNK2 Q9HBH9 2/20 0.40
CYP2A6 P11509 1/20 0.40
LMNA P02545 1/20 0.40
USP1 O94782 1/20 0.40
WDR48 Q8TAF3 1/20 0.40

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
SCHEMBL1861413 0.88 MMP12 (0.47) MMP12CYP2C9FLT3ALDH1A1DHODH
SCHEMBL8047955 0.87 MMP12 (0.56) MMP12MKNK1MKNK2LMNA
SCHEMBL1858161 0.83 KMT2A (0.52)
SCHEMBL7929539 0.81 MMP2 (0.48) MMP2MMP3
SCHEMBL7926499 0.81 PTPN1 (0.53) ALDH1A1MMP2MMP3
SCHEMBL7924568 0.81 MMP12 (0.48) MMP12MMP2MMP3
SCHEMBL1862472 0.80 KMT2A (0.47) MMP2MMP3
SCHEMBL7917889 0.80 MMP12 (0.55) MMP12MMP2MMP3
SCHEMBL3469955 0.80 SLC13A5 (0.46) MMP2MMP3
SCHEMBL1857173 0.79 MMP2 (0.42) ALDH1A1MMP2MMP3LMNA

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 7 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 claimed
WO-2009080722-A2 CARBOXYLIC DERIVATIVES FOR USE IN THE TREATMENT OF CANCER CRYSTAX PHARMACEUTICALS, S.L. (ES) 2009-07-02 WO claimed
US-20110105544-A1 CARBOXYLIC DERIVATIVES FOR USE IN THE TREATMENT OF CANCER CRYSTAX PHARMACEUTICALS, S.L. (ES) 2011-05-05 US disclosed
US-20110105544-A1 CARBOXYLIC DERIVATIVES FOR USE IN THE TREATMENT OF CANCER CRYSTAX PHARMACEUTICALS, S.L. (ES) 2011-05-05 US disclosed
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
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 MMP12 4329/4885CYP2C9 425/4885FLT3 557/4885

“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.