SCHEMBL21396055

SCHEMBL21396055

CC(=O)CCC1OC(=O)c2ccccc21

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.53
ALDH1A1 P00352 2/20 0.53
MEN1 O00255 1/20 0.53
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
MAPT P10636 1/20 0.53
CYP2C9 P11712 1/20 0.53
HPGD P15428 1/20 0.53
CYP2C19 P33261 1/20 0.53
KMT2A Q03164 1/20 0.53
HSD17B10 Q99714 1/20 0.50
KDM4E B2RXH2 1/20 0.47
RECQL P46063 1/20 0.47
TSHR P16473 1/20 0.45
HTT P42858 1/20 0.45

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
SCHEMBL19302753 0.85 KDM4E (0.55) LMNAALDH1A1MEN1CYP1A2CYP3A4
SCHEMBL13593519 0.83 LMNA (0.63) LMNAALDH1A1MEN1CYP1A2CYP3A4
SCHEMBL31115060 0.81 MAOB (0.48) CYP1A2
SCHEMBL31115092 0.81 MAOB (0.48)
SCHEMBL873209 0.80 ALDH1A1 (0.48) LMNAALDH1A1MEN1CYP1A2CYP3A4
SCHEMBL2728660 0.80 ALDH1A1 (0.51) LMNAALDH1A1MEN1CYP1A2CYP3A4
SCHEMBL25446084 0.79 LMNA (0.42) LMNAALDH1A1MEN1CYP1A2CYP3A4
SCHEMBL21396062 0.79 LMNA (0.49) LMNAALDH1A1HSD17B10RECQL
Acetic Acid SCHEMBL9528247 0.79 ALDH1A1 (0.55) LMNAALDH1A1MEN1CYP1A2CYP3A4
Rac-3-N-Butylphthalide SCHEMBL28830050 0.77 MAOB (0.48) LMNAALDH1A1MEN1CYP1A2CYP3A4

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-11578049-B2 Benzoic acid compound and method for preparing the same HENAN GENUINE BIOTECH CO., LTD. (CN) 2023-02-14 US disclosed
EP-3845524-A1 BENZOIC ACID COMPOUNDS AND PREPARATION METHOD THEREFORE AND APPLICATIONS THEREOF Henan Genuine Biotech Co., Ltd. (CN) 2021-07-07 EP disclosed
US-20210002244-A1 BENZOIC ACID COMPOUND AND METHOD FOR PREPARING THE SAME HENAN GENUINE BIOTECH CO., LTD. (CN) 2021-01-07 US disclosed
WO-2019179346-A1 BENZOIC ACID COMPOUNDS AND PREPARATION METHOD THEREFORE AND APPLICATIONS THEREOF 河南真实生物科技有限公司 2019-09-26 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-11578049-B2 Benzoic acid compound and method for preparing the same GABBR2, GABRA1, GABRA6 LMNA 493/4885ALDH1A1 1354/4885MEN1 320/4885
US-20210002244-A1 BENZOIC ACID COMPOUND AND METHOD FOR PREPARING THE SAME GABBR2, GABRA1, GABRA6 LMNA 493/4885ALDH1A1 1354/4885MEN1 320/4885

“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.