SCHEMBL21396062

SCHEMBL21396062

O=C(O)CCCC1OC(=O)c2ccccc21

nearest known ligand 0.65

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.49
RECQL P46063 1/20 0.49
ALDH1A1 P00352 1/20 0.49
HSD17B10 Q99714 1/20 0.49
EGFR P00533 1/20 0.47

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 0.90 KDM4E (0.55) LMNARECQLALDH1A1HSD17B10
Rac-3-N-Butylphthalide SCHEMBL28830050 0.87 MAOB (0.48) LMNAALDH1A1HSD17B10
SCHEMBL19283540 0.82 ALDH1A1 (0.49) ALDH1A1HSD17B10
SCHEMBL29756436 0.82 ALDH1A1 (0.49) ALDH1A1HSD17B10
SCHEMBL27667860 0.81 ALDH1A1 (0.48) ALDH1A1HSD17B10
SCHEMBL9870428 0.80 EDNRB (0.40) EGFR
SCHEMBL4899583 0.80 APEX1 (0.69) LMNARECQLALDH1A1HSD17B10
SCHEMBL21396055 0.79 LMNA (0.53) LMNARECQLALDH1A1HSD17B10
SCHEMBL4021498 0.79 ALDH1A1 (0.47) ALDH1A1HSD17B10
Rac-3-N-Butylphthalide SCHEMBL22551101 0.79 MAOB (0.53)

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 493/4885RECQL 3523/4885ALDH1A1 1354/4885
US-20210002244-A1 BENZOIC ACID COMPOUND AND METHOD FOR PREPARING THE SAME GABBR2, GABRA1, GABRA6 LMNA 493/4885RECQL 3523/4885ALDH1A1 1354/4885

“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.