SCHEMBL5769402

SCHEMBL5769402

COC(=O)c1[nH]cc(-c2ccc(O)cc2)c1-c1ccc(O)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.44
CA1 P00915 3/20 0.44
CA2 P00918 3/20 0.44
CA7 P43166 3/20 0.44
CA9 Q16790 3/20 0.44
CA14 Q9ULX7 3/20 0.44
HTT P42858 1/20 0.43
PREP P48147 2/20 0.41
MMP2 P08253 1/20 0.41
MMP3 P08254 1/20 0.41
SENP1 Q9P0U3 1/20 0.41
CELA1 Q9UNI1 1/20 0.41
MGAM O43451 3/20 0.40
GAA P10253 3/20 0.40
SI P14410 3/20 0.40
MGAM2 Q2M2H8 3/20 0.40
FAAH O00519 1/20 0.39
ALDH1A1 P00352 1/20 0.38
POLB P06746 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL5770188 0.93 ESR2 (0.47) CA12CA1CA2CA7CA9
SCHEMBL5768982 0.88 ALDH2 (0.42) CA12CA1CA2CA7CA9
SCHEMBL5946257 0.87 MAPT (0.47) MGAMGAASIMGAM2ALDH1A1
SCHEMBL5772174 0.86 SLC6A3 (0.53) ALDH1A1
SCHEMBL6370434 0.79 HTR3A (0.47)
SCHEMBL6377962 0.79 HTR3A (0.47)
SCHEMBL28680034 0.78 PTGS2 (0.46) HTTALDH1A1POLBKMT2A
SCHEMBL5768977 0.77 PRMT3 (0.38) HTTGAAALDH1A1POLBKMT2A
SCHEMBL16112588 0.74 HTT (0.52) HTTALDH1A1KMT2ASGK1CAMKK2
SCHEMBL3493408 0.74 HTT (0.46) HTTGAAALDH1A1KMT2ASGK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2138496-A1 Antitumoral analogs of lamellarins Pharma Mar, S.A.U. (ES) 2009-12-30 EP disclosed
US-7396837-B2 Antitumoral analogs of lamellarins PHARMA MAR, S.A.U. (ES) 2008-07-08 US disclosed
US-20060287529-A1 Solid phase synthesis of antitumoral compounds PHARMA MAR, S.A.U. (ES) 2006-12-21 US disclosed
EP-1613635-A2 SOLID PHASE SYNTHESIS OF ANTITUMORAL COMPOUNDS PHARMA MAR, S.A. (ES) 2006-01-11 EP disclosed
WO-2004073598-A2 SOLID PHASE SYNTHESIS OF ANTITUMORAL COMPOUNDS PHARMA MAR, S.A.U. (ES) 2004-09-02 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-20060287529-A1 Solid phase synthesis of antitumoral compounds TSNAX, TSN, PLIN5 CA12 3084/4885CA1 2605/4885CA2 3519/4885

“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.