SCHEMBL4898922

SCHEMBL4898922

NC(=O)OCc1ccc(C=O)o1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.55
TSHR P16473 1/20 0.55
KDM4E B2RXH2 5/20 0.39
NPC1 O15118 3/20 0.39
MAPT P10636 3/20 0.39
RAB9A P51151 3/20 0.39
HSP90AA1 P07900 1/20 0.39
POLB P06746 3/20 0.39
TP53 P04637 2/20 0.39
HPGD P15428 2/20 0.39
SMN1; SMN2 Q16637 4/20 0.38
STAT1 P42224 1/20 0.38
TDP1 Q9NUW8 3/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
MDM2 Q00987 1/20 0.35
HTT P42858 1/20 0.35
LDHA P00338 1/20 0.35
LDHB P07195 1/20 0.35
HAO1 Q9UJM8 1/20 0.35
GAA P10253 1/20 0.34

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
SCHEMBL9123636 0.83 NQO1 (0.40) ALDH1A1NPC1MAPTRAB9AHSP90AA1
SCHEMBL51038 0.83 ALDH1A1 (0.55) ALDH1A1TSHRKDM4ENPC1MAPT
SCHEMBL11987589 0.83 ALDH1A1 (0.55) ALDH1A1TSHRKDM4ENPC1MAPT
SCHEMBL13945607 0.80 ALDH1A1 (0.51) ALDH1A1TSHRKDM4ENPC1MAPT
SCHEMBL697079 0.80 ALDH1A1 (0.51) ALDH1A1TSHRKDM4ENPC1MAPT
SCHEMBL18894874 0.80 TSHR (0.51) ALDH1A1TSHRKDM4ENPC1MAPT
SCHEMBL17485950 0.79 SMN1; SMN2 (0.33) ALDH1A1TSHRNPC1MAPTRAB9A
SCHEMBL25005379 0.79 ALDH1A1 (0.50) ALDH1A1TSHRKDM4ENPC1MAPT
SCHEMBL11987592 0.79 ALDH1A1 (0.50) ALDH1A1TSHRKDM4ENPC1MAPT
SCHEMBL11987590 0.78 HCAR2 (0.51) ALDH1A1TSHRKDM4ENPC1MAPT

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
CN-117164465-A Phenyl cyclopropylamine compound and preparation method and application thereof 郑州大学 2023-12-05 CN disclosed
US-20080221205-A1 FURAN DERIVATIVES FOR PREVENTING AND CURING OSTEOPOROSIS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME OSCOTEC INC. (KR) 2008-09-11 US disclosed
US-20060004088-A1 Furan derivatives for preventing and curing osteoporosis and pharmaceutical compositions containing the same OCT INC. (KR) 2006-01-05 US disclosed
WO-2004037804-A1 FURAN DERIVATIVES FOR PREVENTING AND CURING OSTEOPOROSIS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME OSCOTEC INC. (KR) 2004-05-06 WO 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-20060004088-A1 Furan derivatives for preventing and curing osteoporosis and pharmaceutical compositions containing the same SOST, PTH1R, PTMS ALDH1A1 784/4885TSHR 4252/4885KDM4E 301/4885
US-20080221205-A1 FURAN DERIVATIVES FOR PREVENTING AND CURING OSTEOPOROSIS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME SOST, PTH1R, PTMS ALDH1A1 784/4885TSHR 4252/4885KDM4E 301/4885

“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.