SCHEMBL5772148

SCHEMBL5772148

CCOC(=O)c1conc1-c1ccc(-c2ccccc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.53
SMN1; SMN2 Q16637 4/20 0.53
MAPT P10636 3/20 0.53
LMNA P02545 2/20 0.53
MAPK1 P28482 1/20 0.53
ATM Q13315 1/20 0.53
JAK2 O60674 2/20 0.52
JAK3 P52333 2/20 0.52
TSHR P16473 1/20 0.50
TARBP2 Q15633 1/20 0.50
ADORA3 P0DMS8 3/20 0.49
CYP1A2 P05177 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
GABRA5 P31644 1/20 0.47
RARA P10276 1/20 0.47
RARB P10826 1/20 0.47
RARG P13631 1/20 0.47
HSD17B10 Q99714 1/20 0.47
CACNA1F O60840 1/20 0.46

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
SCHEMBL11396935 0.97 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2MAPTLMNAMAPK1
SCHEMBL8163709 0.87 TSHR (0.44) ALDH1A1SMN1; SMN2MAPTLMNAMAPK1
SCHEMBL2929533 0.86 SMN1; SMN2 (0.52) ALDH1A1SMN1; SMN2MAPTLMNAMAPK1
SCHEMBL1776614 0.86 KDM4E (0.51) ALDH1A1SMN1; SMN2MAPTLMNAMAPK1
SCHEMBL5773409 0.83 MAPT (0.49) SMN1; SMN2MAPTTSHRMEN1KMT2A
SCHEMBL11395576 0.82 JAK2 (0.55) ALDH1A1SMN1; SMN2MAPTJAK2JAK3
SCHEMBL3978092 0.82 JAK2 (0.55) ALDH1A1SMN1; SMN2MAPTLMNAMAPK1
SCHEMBL20241126 0.81 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2MAPTLMNAMAPK1
SCHEMBL2929763 0.81 PTGS1 (0.54) ALDH1A1SMN1; SMN2MAPTLMNATSHR
SCHEMBL405942 0.81 TSHR (0.50) ALDH1A1SMN1; SMN2MAPTLMNAMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060084690-A1 Isoxazole derivatives MOMOSE YU 2006-04-20 US disclosed
US-7022725-B2 Isoxazole derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-04-04 US disclosed
US-20040048908-A1 Isoxazole derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-03-11 US disclosed
EP-1340749-A1 ISOXAZOLE DERIVATIVES Takeda Chemical Industries, Ltd. (JP) 2003-09-03 EP 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-20060084690-A1 Isoxazole derivatives INSR, GPR119, INSRR ALDH1A1 1045/4885SMN1; SMN2 3383/4885MAPT 4701/4885
US-20040048908-A1 Isoxazole derivatives GPR119, INSR, IRS1 ALDH1A1 682/4885SMN1; SMN2 2449/4885MAPT 4763/4885

“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.