SCHEMBL13344391

SCHEMBL13344391

CC(=O)c1cc2cc(-c3ccc(OC(C)C)cc3)ccc2s1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CLK1 P49759 2/20 0.52
▸ DYRK1A Q13627 2/20 0.52
▸ DYRK1B Q9Y463 2/20 0.52
▸ F9 P00740 11/20 0.44
▸ MCL1 Q07820 1/20 0.44
▸ F10 P00742 7/20 0.43
▸ ACACB O00763 1/20 0.42
▸ ACACA Q13085 1/20 0.42
▸ RXRA P19793 1/20 0.42
▸ RXRB P28702 1/20 0.42
▸ NR1H4 Q96RI1 1/20 0.41
▸ POLB P06746 2/20 0.40
▸ PTGES O14684 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL3498352 0.89 MCL1 (0.50) CLK1DYRK1ADYRK1BF9MCL1
SCHEMBL3499504 0.84 F9 (0.47) F9MCL1F10NR1H4PTGES
SCHEMBL121774 0.80 F9 (0.63) CLK1DYRK1ADYRK1BF9F10
SCHEMBL3496932 0.73 CLK1 (0.55) CLK1DYRK1ADYRK1BF9F10
SCHEMBL30837260 0.71 KMT2A (0.63) MCL1ACACBACACARXRARXRB
SCHEMBL17858432 0.70 BCL2L1 (0.51) MCL1RXRARXRB
SCHEMBL6840172 0.70 DYRK1A (0.69) CLK1DYRK1ADYRK1BLMNA
SCHEMBL4161689 0.70 DYRK1A (1.00) CLK1DYRK1ADYRK1BLMNASMN1; SMN2
SCHEMBL31081091 0.69 STING1 (0.56) —
SCHEMBL3498640 0.68 MAPT (0.52) CLK1DYRK1ADYRK1BF9F10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100130737-A1 Regulating Agent of GPR34 Receptor Function TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-05-27 — — 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-20100130737-A1 Regulating Agent of GPR34 Receptor Function GPR34, GPR4, GPR6 CLK1 3974/4885DYRK1A 3028/4885DYRK1B 2663/4885

“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.

Send feedback