SCHEMBL7793518

SCHEMBL7793518

COC(=O)c1ccc(C=O)cc1.COC(C)OC

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.79
CA1 P00915 3/20 0.48
CA2 P00918 3/20 0.48
TDP1 Q9NUW8 1/20 0.48
CA12 O43570 1/20 0.48
CA7 P43166 1/20 0.48
CA9 Q16790 1/20 0.48
CA14 Q9ULX7 1/20 0.48
MAPT P10636 3/20 0.48
PTPN1 P18031 1/20 0.47
ADRB2 P07550 1/20 0.47
ADRB1 P08588 1/20 0.47
ADRB3 P13945 1/20 0.47
KDM4E B2RXH2 1/20 0.47
TSHR P16473 1/20 0.46
GRIN2D O15399 1/20 0.45
GRIN3B O60391 1/20 0.45
GRIN1 Q05586 1/20 0.45
GRIN2A Q12879 1/20 0.45
GRIN2B Q13224 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
SCHEMBL79533 0.89 ALDH1A1 (1.00) ALDH1A1CA1CA2TDP1CA12
SCHEMBL28033399 0.89 ALDH1A1 (1.00) ALDH1A1CA1CA2TDP1CA12
SCHEMBL3876084 0.84 ALDH1A1 (0.68) ALDH1A1CA1CA2TDP1MAPT
SCHEMBL14789231 0.84 ALDH1A1 (0.89) ALDH1A1CA1CA2TDP1CA12
SCHEMBL2389679 0.84 ALDH1A1 (0.89) ALDH1A1CA1CA2TDP1CA12
SCHEMBL13244579 0.81 ALDH1A1 (0.82) ALDH1A1CA1CA2TDP1CA12
SCHEMBL4598157 0.81 ALDH1A1 (0.82) ALDH1A1CA1CA2TDP1CA12
Ether SCHEMBL2323090 0.79 ALDH1A1 (0.79) ALDH1A1CA1CA2TDP1CA12
SCHEMBL15160947 0.79 ALDH1A1 (0.79) ALDH1A1CA1CA2TDP1CA12
SCHEMBL4408966 0.79 ALDH1A1 (0.79) ALDH1A1CA1CA2TDP1CA12

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
EP-2524909-B1 PREPARATION METHOD OF 4-AMINOMETHYLBENZOIC ACID NAF CO LTD (KR) 2015-03-18 EP disclosed
US-8907127-B2 Preparation method of 4-aminomethylbenzoic acid NAF CO LTD (KR) 2014-12-09 US disclosed
US-20120296114-A1 PREPARATION METHOD OF 4-AMINOMETHYLBENZOIC ACID SK PETROCHEMICAL CO., LTD. (KR) 2012-11-22 US disclosed
EP-2524909-A2 PREPARATION METHOD OF 4-AMINOMETHYLBENZOIC ACID NAF Co., Ltd. (KR) 2012-11-21 EP disclosed
EP-1150689-A1 CHEMICAL COMPOUNDS NORSK HYDRO ASA (NO) 2001-11-07 EP disclosed
WO-2000048609-A1 CHEMICAL COMPOUNDS NORSK HYDRO ASA (NO) 2000-08-24 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-20120296114-A1 PREPARATION METHOD OF 4-AMINOMETHYLBENZOIC ACID HAAO, ALKBH3, HAO2 ALDH1A1 508/4885CA1 1005/4885CA2 384/4885

“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.