SCHEMBL3892252

SCHEMBL3892252

CSc1ccc(OC(C)=O)cc1C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.53
ALDH1A1 P00352 3/20 0.53
TSHR P16473 2/20 0.53
HSD17B10 Q99714 1/20 0.53
ACHE P22303 2/20 0.51
LMNA P02545 4/20 0.50
KDM4E B2RXH2 5/20 0.46
GLA P06280 3/20 0.46
GAA P10253 3/20 0.46
HPGD P15428 1/20 0.43
SLC6A4 P31645 2/20 0.42
TAS1R3 Q7RTX0 1/20 0.42
TAS1R1 Q7RTX1 1/20 0.42
POLB P06746 2/20 0.42
PKM P14618 2/20 0.42
MAPT P10636 2/20 0.42
CA12 O43570 1/20 0.41
CA9 Q16790 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
KMT2A Q03164 2/20 0.41

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
SCHEMBL11850025 0.89 ALDH1A1 (0.53) CYP3A4ALDH1A1TSHRHSD17B10ACHE
Hydrochloric Acid SCHEMBL11850034 0.88 ALDH1A1 (0.51) CYP3A4ALDH1A1TSHRHSD17B10ACHE
SCHEMBL3137957 0.83 ALDH1A1 (0.48) CYP3A4ALDH1A1TSHRHSD17B10ACHE
SCHEMBL14700544 0.81 ACHE (0.47) CYP3A4ALDH1A1ACHELMNAKDM4E
SCHEMBL9391203 0.81 ALDH1A1 (0.49) CYP3A4ALDH1A1TSHRHSD17B10ACHE
SCHEMBL2653694 0.81 LMNA (0.44) CYP3A4ACHELMNAKDM4EGLA
SCHEMBL27736846 0.81 LMNA (0.44) CYP3A4ALDH1A1HSD17B10ACHELMNA
SCHEMBL2649914 0.81 LMNA (0.44) CYP3A4ACHELMNAKDM4EGLA
SCHEMBL862851 0.79 ACHE (0.65) CYP3A4ALDH1A1ACHELMNAKDM4E
SCHEMBL5582943 0.77 ACHE (0.58) CYP3A4ALDH1A1ACHELMNAKDM4E

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
US-20090312313-A1 COMPOUND HAVING TGFBETA INHIBITORY ACTIVITY AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME KIRIN BEER KABUSHIKI KAISHA (JP) 2009-12-17 US disclosed
US-7560558-B2 Compound having TGFβ inhibitory activity and medicinal composition containing the same KIRIN BEER KABUSHIKI KAISHA (JP) 2009-07-14 US disclosed
US-20060111375-A1 Compound having tgfß inhibitory activity and medicinal composition containing the same KIRIN BEER KABUSHIKI KAISHA (JP) 2006-05-25 US disclosed
EP-1548008-A1 COMPOUND HAVING TGF-BETA INHIBITORY ACTIVITY AND MEDICINAL COMPOSITION CONTAINING THE SAME KIRIN BEER KABUSHIKI KAISHA (JP) 2005-06-29 EP disclosed
US-4342473-A Pressure-sensitive copy systems containing phenolic ester as color-stabilizers CHAMPION INTERNATIONAL CORPORATION (US) 1982-08-03 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 (2 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-20060111375-A1 Compound having tgfß inhibitory activity and medicinal composition containing the same TGFB1, TGFBR1, TGFBR2 CYP3A4 2226/4885ALDH1A1 1257/4885TSHR 1021/4885
US-20090312313-A1 COMPOUND HAVING TGFBETA INHIBITORY ACTIVITY AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME TGFB1, TGFBR1, TGFBR2 CYP3A4 1842/4885ALDH1A1 1845/4885TSHR 855/4885

“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.