SCHEMBL440630

SCHEMBL440630

CC(=O)OC(=O)c1ccccc1.[NaH]

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.58
LMNA P02545 2/20 0.56
F2 P00734 1/20 0.56
ALDH1A1 P00352 5/20 0.48
TDP1 Q9NUW8 4/20 0.48
ELANE P08246 1/20 0.48
HSD17B10 Q99714 1/20 0.48
CES2 O00748 3/20 0.48
CES1 P23141 3/20 0.48
TP53 P04637 1/20 0.47
KMT2A Q03164 3/20 0.45
MAPT P10636 3/20 0.45
MAPK1 P28482 1/20 0.45
HIF1A Q16665 1/20 0.45
POLB P06746 1/20 0.45
SLC6A2 P23975 1/20 0.45
SLC6A3 Q01959 1/20 0.45
CYP3A4 P08684 1/20 0.44
DAO P14920 1/20 0.44
NAPRT Q6XQN6 1/20 0.44

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
Benzene SCHEMBL27982505 1.00 TSHR (0.58) TSHRLMNAF2ALDH1A1TDP1
SCHEMBL28247072 1.00 TSHR (0.58) TSHRLMNAF2ALDH1A1TDP1
SCHEMBL7758911 0.98 TSHR (0.56) TSHRLMNAF2ALDH1A1TDP1
SCHEMBL35098 0.98 TSHR (0.60) TSHRLMNAF2ALDH1A1TDP1
Acetic Acid SCHEMBL25211249 0.95 TSHR (0.58) TSHRLMNAF2ALDH1A1TDP1
SCHEMBL20395035 0.95 TSHR (0.58) TSHRLMNAF2ALDH1A1TDP1
SCHEMBL5969204 0.95 TSHR (0.58) TSHRLMNAF2ALDH1A1TDP1
SCHEMBL445578 0.95 TSHR (0.58) TSHRLMNAF2ALDH1A1TDP1
SCHEMBL28407341 0.95 TSHR (0.58) TSHRLMNAF2ALDH1A1TDP1
SCHEMBL27599930 0.95 TSHR (0.58) TSHRLMNAF2ALDH1A1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111000783-A Whitening, relieving and anti-aging essence and preparation method thereof 彭氏(惠州)实业发展有限公司 2020-04-14 CN claimed
CN-112316107-B Use of angiotensin (1-7) in pancreatic disorders 首都医科大学附属北京妇产医院 2023-01-06 CN disclosed
CN-112316107-A Use of angiotensin (1-7) in pancreatic disorders 首都医科大学附属北京妇产医院 2021-02-05 CN disclosed
EP-3184206-A1 DISPERSIONS OF METALS AND/OR METAL COMPOUNDS Solvay SA (BE) 2017-06-28 EP disclosed
CN-103038294-A Silver ink composition and substrate TOPPAN FORMS CO LTD 2013-04-10 CN disclosed
US-20120065179-A1 PRODRUG COMPRISING BETA-KETO CARBOXYLIC ACID, BETA-KETO CARBOXYLIC ACID SALT OR BETA-KETO CARBOXYLIC ACID ESTER FOR DRUG DELIVERY YKI, Ytemiska Institutet AB (SE) 2012-03-15 US disclosed
EP-2419398-A1 A PRODRUG COMPRISING BETA-KETO CARBOXYLIC ACID, BETA-KETO CARBOXYLIC ACID SALT OR BETA-KETO CARBOXYLIC ACID ESTER FOR DRUG DELIVERY YKI, Ytkemiska Institutet AB (SE) 2012-02-22 EP disclosed
WO-2010120232-A1 A PRODRUG COMPRISING BETA-KETO CARBOXYLIC ACID, BETA-KETO CARBOXYLIC ACID SALT OR BETA-KETO CARBOXYLIC ACID ESTER FOR DRUG DELIVERY YKI, YTKEMISKA INSTITUTET AB (SE) 2010-10-21 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-20120065179-A1 PRODRUG COMPRISING BETA-KETO CARBOXYLIC ACID, BETA-KETO CARBOXYLIC ACID SALT OR BETA-KETO CARBOXYLIC ACID ESTER FOR DRUG DELIVERY BCKDK, KHK, CA7 TSHR 3804/4885LMNA 1615/4885F2 3275/4885

“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.