SCHEMBL7526346

SCHEMBL7526346

O=C(O)COc1ccc2c(c1)-c1nc(SCC(c3ccccc3)c3ccccc3)sc1CC2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 4/20 0.45
MAPT P10636 10/20 0.40
THRB P10828 2/20 0.40
ALDH1A1 P00352 6/20 0.40
KDM4E B2RXH2 5/20 0.40
MPI P34949 2/20 0.39
ALOX15 P16050 2/20 0.39
HSD17B10 Q99714 2/20 0.39
TSHR P16473 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
HPGD P15428 2/20 0.39
LMNA P02545 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
PKM P14618 1/20 0.39
CYP2C19 P33261 1/20 0.39
HTT P42858 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
SCHEMBL7526057 0.88 FBP1 (0.46) FBP1MAPTTHRBALDH1A1KDM4E
SCHEMBL7521609 0.84 FBP1 (0.44) FBP1MAPTALDH1A1KDM4EALOX15
SCHEMBL7519031 0.81 PTGIR (0.42) ALDH1A1KDM4EMEN1KMT2AHPGD
SCHEMBL7529395 0.80 FBP1 (0.44) FBP1MAPTTHRBALDH1A1KDM4E
SCHEMBL7517892 0.80 FBP1 (0.46) FBP1MAPTALDH1A1KDM4EALOX15
SCHEMBL7522207 0.79 FBP1 (0.45) FBP1MAPTTHRBALDH1A1KDM4E
SCHEMBL7518394 0.79 MAPT (0.43) MAPTTHRBALDH1A1KDM4EALOX15
SCHEMBL7532270 0.78 FBP1 (0.54) FBP1MAPTTHRBALDH1A1KDM4E
SCHEMBL7524391 0.76 PTGIR (0.40) ALDH1A1KDM4EMEN1KMT2AHPGD
SCHEMBL7523958 0.74 ALDH1A1 (0.36) ALDH1A1HSD17B10TSHRKMT2AHPGD

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-6417213-B2 ANTICOAGULANTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2002-07-09 US disclosed
US-20020006944-A1 Tricyclic compounds, their production and use OHKAWA SHIGENORI (JP) 2002-01-17 US disclosed
US-6248766-B1 CARDIOVASCULAR DISORDERS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-06-19 US 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-20020006944-A1 Tricyclic compounds, their production and use CNR1, PTGER1, PTGDR FBP1 3869/4885MAPT 4864/4885THRB 263/4885

“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.