SCHEMBL21774299

SCHEMBL21774299

Cc1cc(OCOC(=O)C(C)C)n(-c2ccccc2)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.49
L3MBTL1 Q9Y468 3/20 0.47
GAA P10253 3/20 0.47
ATM Q13315 1/20 0.47
KMT2A Q03164 1/20 0.47
NTRK1 P04629 3/20 0.47
LMNA P02545 1/20 0.46
STAT1 P42224 1/20 0.46
MAPT P10636 5/20 0.45
KDM5A P29375 1/20 0.45
KDM4C Q9H3R0 1/20 0.45
TDP1 Q9NUW8 1/20 0.44
TP53 P04637 1/20 0.44
MDM2 Q00987 1/20 0.44
P2RY1 P47900 1/20 0.43
CYP1A2 P05177 1/20 0.43
MAPK1 P28482 1/20 0.43
CYP2C19 P33261 1/20 0.43
TSHR P16473 1/20 0.43
KCNJ6 P48051 1/20 0.43

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
SCHEMBL21774133 0.86 MAPT (0.49) ALDH1A1L3MBTL1GAAATMKMT2A
SCHEMBL21774381 0.85 KMT2A (0.51) ALDH1A1L3MBTL1GAAATMKMT2A
SCHEMBL21774127 0.84 MAPT (0.52) ALDH1A1GAAKMT2ALMNASTAT1
SCHEMBL21774330 0.84 KMT2A (0.59) ALDH1A1L3MBTL1GAAATMKMT2A
SCHEMBL21775710 0.83 ALDH1A1 (0.46) ALDH1A1L3MBTL1GAAATMKMT2A
SCHEMBL31617112 0.83 KMT2A (0.47) ALDH1A1L3MBTL1GAAATMKMT2A
SCHEMBL21774377 0.83 KLK6 (0.55) ALDH1A1L3MBTL1GAAATMKMT2A
SCHEMBL21774366 0.81 ALDH1A1 (0.49) ALDH1A1L3MBTL1GAAATMNTRK1
SCHEMBL21774380 0.81 GAA (0.48) ALDH1A1L3MBTL1GAAATMKMT2A
SCHEMBL21774341 0.81 NTRK1 (0.46) ALDH1A1L3MBTL1GAAATMKMT2A

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-11692004-B2 Substituted pyrazole compound, preparation method therefor, pharmaceutical composition and medical use thereof JIANGSU VANGUARD PHARMACEUTICAL CO., LTD. (CN) 2023-07-04 US disclosed
US-11692004-B2 Substituted pyrazole compound, preparation method therefor, pharmaceutical composition and medical use thereof JIANGSU VANGUARD PHARMACEUTICAL CO., LTD. (CN) 2023-07-04 US disclosed
WO-2020038279-A1 SUBSTITUTED PYRAZOLE COMPOUND, AND PREPARATION METHOD, PHARMACEUTICAL COMPOSITION, AND USE THEREOF 天津谷堆生物医药科技有限公司 2020-02-27 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 (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-11692004-B2 Substituted pyrazole compound, preparation method therefor, pharmaceutical composition and medical use thereof FARS2, GOT2, HADHB ALDH1A1 2197/4885L3MBTL1 1066/4885GAA 3422/4885

“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.