SCHEMBL1858307

SCHEMBL1858307

COc1cccc(CCC(CCCc2ccccc2)C(=O)O)c1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 2/20 0.53
MTNR1B P49286 2/20 0.53
L3MBTL1 Q9Y468 1/20 0.52
SIGMAR1 Q99720 2/20 0.51
HDAC1 Q13547 1/20 0.51
HDAC6 Q9UBN7 1/20 0.51
GRIK1 P39086 1/20 0.50
KMT2A Q03164 1/20 0.49
PTGES O14684 1/20 0.49
ALOX5 P09917 1/20 0.49
PPARG P37231 1/20 0.49
RAB9A P51151 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
SCHEMBL7916834 0.89 MAOB (0.52)
SCHEMBL1856418 0.88 ALDH1A1 (0.56) GRIK1KMT2AALOX5RAB9A
SCHEMBL1856039 0.88 L3MBTL1 (0.50) MTNR1AMTNR1BL3MBTL1SIGMAR1HDAC1
SCHEMBL1861101 0.84 ALDH1A1 (0.53) GRIK1KMT2AALOX5RAB9A
SCHEMBL3467371 0.84 MMP3 (0.58) SIGMAR1GRIK1KMT2AALOX5RAB9A
SCHEMBL30724099 0.84 MTNR1A (0.50) MTNR1AMTNR1BHDAC1HDAC6KMT2A
SCHEMBL10643738 0.83 LDHA (0.54) KMT2AALOX5PPARG
SCHEMBL1860416 0.83 GRIK1 (0.68) HDAC1HDAC6GRIK1PTGESALOX5
SCHEMBL28820181 0.82 MTNR1A (0.57) MTNR1AMTNR1BSIGMAR1HDAC1HDAC6
SCHEMBL28020307 0.82 MTNR1A (0.57) MTNR1AMTNR1BSIGMAR1HDAC1HDAC6

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 6 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
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 MTNR1A 515/4885MTNR1B 605/4885L3MBTL1 2630/4885

“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.