SCHEMBL5772174

SCHEMBL5772174

COC(=O)c1[nH]cc(-c2ccc3ccccc3c2)c1-c1ccc(O)cc1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 9/20 0.53
SLC6A4 P31645 5/20 0.53
SLC6A2 P23975 4/20 0.53
ALPL P05186 1/20 0.48
ESR1 P03372 2/20 0.44
ESR2 Q92731 2/20 0.44
HDAC4 P56524 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
BACE1 P56817 1/20 0.41
ALDH1A1 P00352 1/20 0.40
CYP1A2 P05177 1/20 0.40
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40
ERN1 O75460 1/20 0.39
PLAU P00749 1/20 0.39
MIF P14174 1/20 0.39

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
SCHEMBL5769402 0.86 CA12 (0.44) ALDH1A1
SCHEMBL5770188 0.82 ESR2 (0.47) ALPLESR1ESR2HDAC4HDAC2
SCHEMBL5946257 0.81 MAPT (0.47) ALDH1A1HPGDHSD17B10
SCHEMBL5768982 0.78 ALDH2 (0.42) ALDH1A1CYP1A2HPGDERN1
SCHEMBL3493408 0.75 HTT (0.46) SLC6A3ALDH1A1CYP1A2
SCHEMBL27962543 0.73 HDAC4 (0.43) SLC6A3SLC6A4SLC6A2ALPLESR1
SCHEMBL5946221 0.71 SLC6A3 (0.47) SLC6A3SLC6A4SLC6A2ALPLESR1
SCHEMBL16112588 0.70 HTT (0.52) SLC6A3ALDH1A1HPGDHSD17B10
SCHEMBL16683936 0.70 SLC6A3 (1.00) SLC6A3SLC6A4SLC6A2ALPLHDAC4
SCHEMBL16111747 0.69 LMNA (0.48) SLC6A3SLC6A4ALDH1A1HPGDHSD17B10

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-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 SLC6A3 3807/4885SLC6A4 4447/4885SLC6A2 4176/4885

“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.