SCHEMBL22076567

SCHEMBL22076567

COC(=O)CC(O)c1ccc(C=O)cc1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.47
▸ TYR P14679 1/20 0.44
▸ MAPT P10636 2/20 0.40
▸ CYP2A6 P11509 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ STAT3 P40763 1/20 0.40
▸ ADRB2 P07550 1/20 0.40
▸ ADRB1 P08588 1/20 0.40
▸ ADRB3 P13945 1/20 0.40
▸ HTT P42858 1/20 0.39
▸ KCNA5 P22460 1/20 0.38

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
SCHEMBL22076566 0.81 L3MBTL1 (0.47) KCNA5
SCHEMBL7661532 0.81 KDM4E (0.55) ALDH1A1TYRRAB9ASTAT3
SCHEMBL7661530 0.81 KDM4E (0.55) ALDH1A1TYRRAB9ASTAT3
SCHEMBL28827835 0.81 MAPT (0.47) ALDH1A1MAPTRAB9ASTAT3HTT
SCHEMBL4484678 0.81 TAAR1 (0.52) ALDH1A1MAPTRAB9AADRB2HTT
SCHEMBL4486192 0.81 TAAR1 (0.52) ALDH1A1MAPTRAB9AADRB2HTT
SCHEMBL14042112 0.81 TAAR1 (0.52) ALDH1A1MAPTRAB9AADRB2HTT
SCHEMBL28487898 0.81 L3MBTL1 (0.46) ALDH1A1TYRMAPTCYP2A6RAB9A
SCHEMBL5468798 0.79 AOC3 (0.57) ALDH1A1MAPTRAB9AKMT2AHTT
SCHEMBL8770971 0.79 HTT (0.59) ALDH1A1MAPTRAB9AKMT2AHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10906860-B2 Method for synthesizing chiral beta-hydroxy acid ester compound WENZHOU UNIVERSITY (CN) 2021-02-02 — — US disclosed
US-10906860-B2 Method for synthesizing chiral beta-hydroxy acid ester compound WENZHOU UNIVERSITY (CN) 2021-02-02 — — US disclosed
CN-109734600-B Synthesis method of chiral beta-hydroxy acid ester compound 温州大学 2020-09-15 — — CN disclosed
US-20200190013-A1 METHOD FOR SYNTHESIZING CHIRAL BETA-HYDROXY ACID ESTER COMPOUND WENZHOU UNIVERSITY (CN) 2020-06-18 — — US disclosed
US-20200190013-A1 METHOD FOR SYNTHESIZING CHIRAL BETA-HYDROXY ACID ESTER COMPOUND WENZHOU UNIVERSITY (CN) 2020-06-18 — — US disclosed
CN-109734600-A A kind of synthetic method of chiral beta carboxylic acid ester type compound 温州大学 2019-05-10 — — CN 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-20200190013-A1 METHOD FOR SYNTHESIZING CHIRAL BETA-HYDROXY ACID ESTER COMPOUND HSD11B1, HACL2, HAAO ALDH1A1 30/4885TYR 368/4885MAPT 4125/4885
US-10906860-B2 Method for synthesizing chiral beta-hydroxy acid ester compound HSD11B1, HACL2, HAAO ALDH1A1 30/4885TYR 368/4885MAPT 4125/4885

“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.

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