SCHEMBL7528414

SCHEMBL7528414

O=C(O)COc1ccc2c(c1)C(=O)C(Br)CC2

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.52
ALOX15 P16050 2/20 0.52
TSHR P16473 1/20 0.52
MAPT P10636 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
ALDH1A1 P00352 4/20 0.43
KDM4E B2RXH2 3/20 0.43
GLA P06280 1/20 0.43
GAA P10253 1/20 0.43
HPGD P15428 1/20 0.43
CASP1 P29466 1/20 0.43
CASP7 P55210 1/20 0.43
PTPN7 P35236 1/20 0.42
CYP19A1 P11511 1/20 0.41
AKR1A1 P14550 1/20 0.40
AKR1B1 P15121 1/20 0.40
MCL1 Q07820 1/20 0.40
ADRB1 P08588 1/20 0.39
ADRB3 P13945 1/20 0.39
LMNA P02545 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
SCHEMBL7522985 0.90 ALOX15 (0.52) HSD17B10ALOX15TSHRMAPTL3MBTL1
SCHEMBL7401506 0.79 AOC3 (0.44) HSD17B10ALDH1A1KDM4EGLAHPGD
SCHEMBL7522620 0.78 HSD17B10 (0.51) HSD17B10ALOX15TSHRMAPTL3MBTL1
SCHEMBL7962749 0.78 SMN1; SMN2 (0.48) TSHRALDH1A1CYP19A1
SCHEMBL3875408 0.77 ACHE (0.56) ALDH1A1CYP19A1
SCHEMBL30714800 0.77 ACHE (0.56) ALDH1A1CYP19A1
SCHEMBL7527304 0.75 HSD17B10 (0.66) HSD17B10ALOX15TSHRMAPTL3MBTL1
SCHEMBL10894507 0.75 ALDH1A1 (0.45) MAPTALDH1A1KDM4ECYP19A1
SCHEMBL26706358 0.74 CES1 (0.44) CYP19A1
SCHEMBL24376398 0.71 ACHE (0.56) HSD17B10ALOX15TSHRALDH1A1KDM4E

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 2 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

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 HSD17B10 864/4885ALOX15 448/4885TSHR 179/4885

“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.