SCHEMBL9893708

SCHEMBL9893708

CC(C)(O)C(C)(C)OB(O)c1ccccc1NC=O

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.36
MAPT P10636 1/20 0.31
MAPK1 P28482 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
ALDH1A1 P00352 1/20 0.30
GAA P10253 1/20 0.30
HTT P42858 1/20 0.30

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
SCHEMBL3521758 0.82 KDM4E (0.34) MAPTNPSR1ALDH1A1
SCHEMBL3242695 0.80 SMN1; SMN2 (0.43) TSHRMAPK1ALDH1A1HTT
SCHEMBL3351205 0.80 KDM4E (0.37) ALDH1A1GAAHTT
SCHEMBL2385935 0.79 LMNA (0.38) TSHRNPSR1ALDH1A1GAAHTT
SCHEMBL9893573 0.79 KEAP1 (0.39) TSHRALDH1A1GAAHTT
SCHEMBL924510 0.77 RXFP1 (0.40) GAA
SCHEMBL7189586 0.76 TSHR (0.43) TSHRALDH1A1
SCHEMBL1533817 0.76 TDP1 (0.37) MAPTALDH1A1GAAHTT
SCHEMBL5899432 0.75 TSHR (0.36) TSHRMAPTALDH1A1
SCHEMBL9893711 0.74 ALDH1A1 (0.35) ALDH1A1

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-20150315127-A1 THERAPEUTIC COMPOUNDS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. 2015-11-05 US disclosed
US-9024071-B2 Therapeutic compounds UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2015-05-05 US disclosed
US-20120149693-A1 THERAPEUTIC COMPOUNDS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2012-06-14 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-20120149693-A1 THERAPEUTIC COMPOUNDS HTR2C, GRK2, GRK3 TSHR 1441/4885MAPT 2718/4885MAPK1 2307/4885
US-20150315127-A1 THERAPEUTIC COMPOUNDS HTR2C, GRK2, GRK3 TSHR 1441/4885MAPT 2718/4885MAPK1 2307/4885

“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.