SCHEMBL8862881

SCHEMBL8862881

CC(C)CC(=NO)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ CTBP2 P56545 11/20 0.39
▸ CA2 P00918 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ MMP1 P03956 1/20 0.34
▸ MMP2 P08253 1/20 0.34
▸ MMP3 P08254 1/20 0.34
▸ MMP9 P14780 1/20 0.34
▸ MMP13 P45452 1/20 0.34
▸ HPGD P15428 1/20 0.33

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
SCHEMBL8862880 1.00 ALDH1A1 (0.42) ALDH1A1TDP1CTBP2CA2SMN1; SMN2
SCHEMBL11328029 0.80 ALDH1A1 (0.48) ALDH1A1TDP1CA2SMN1; SMN2MMP1
SCHEMBL11328030 0.80 ALDH1A1 (0.48) ALDH1A1TDP1CA2SMN1; SMN2MMP1
SCHEMBL10976692 0.76 CA1 (0.44) CTBP2
SCHEMBL10976708 0.76 CA1 (0.44) CTBP2
SCHEMBL11417638 0.75 ALDH1A1 (0.37) ALDH1A1TDP1CTBP2CA2SMN1; SMN2
SCHEMBL11417640 0.75 ALDH1A1 (0.37) ALDH1A1TDP1CTBP2CA2SMN1; SMN2
SCHEMBL25119763 0.75 ALDH1A1 (0.37) ALDH1A1TDP1CTBP2CA2MMP1
SCHEMBL30216812 0.75 ALDH1A1 (0.37) ALDH1A1TDP1CTBP2CA2MMP1
Malonic Acid SCHEMBL9026618 0.74 LDHA (0.35) ALDH1A1TDP1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113286795-B Imidazo [1,2-b ] pyridazine IL-17A inhibitors 伊莱利利公司 2023-11-03 — — CN disclosed
US-20230183206-A1 3,4-DIHYDROISOQUINOLINE COMPOUND AND USE THEREOF CSPC ZHONGQI PHARMACEUTICAL TECHNOLOGY (SHIJIAZHUANG) CO., LTD. (CN) 2023-06-15 — — US disclosed
US-20230183206-A1 3,4-DIHYDROISOQUINOLINE COMPOUND AND USE THEREOF CSPC ZHONGQI PHARMACEUTICAL TECHNOLOGY (SHIJIAZHUANG) CO., LTD. (CN) 2023-06-15 — — US disclosed
EP-4155301-A1 3,4-DIHYDROISOQUINOLINE COMPOUND AND USE THEREOF CSPC Zhongqi Pharmaceutical Technology (Shijiazhuang) Co., Ltd. (CN) 2023-03-29 — — EP disclosed
US-5607934-A PREVENTING AND TREATING DISEASES CAUSED BY SUPEROXIDE RADICALS, NEPHRITIS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1997-03-04 — — US disclosed
EP-0411150-B1 INDOLE DERIVATIVES, PREPARATION THEREOF, AND DRUG FOR PREVENTING AND TREATING NEPHRITIS CONTAINING SAME OTSUKA PHARMA CO LTD (JP) 1996-11-27 — — EP disclosed
CN-1112364-A Piperazine derivatives and salts thereof OTSUKA PHARMA CO LTD (JP) 1995-11-22 — — CN disclosed
US-5459142-A Autoimmune disease, atherosclerosis, antiischemic agents and nephritis OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1995-10-17 — — US disclosed
EP-0659182-A1 PIPERAZINE DERIVATIVES AND SALTS THEREOF OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1995-06-28 — — EP disclosed
WO-1995002593-A1 PIPERAZINE DERIVATIVES AND SALTS THEREOF OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1995-01-26 — — WO disclosed
CN-1024797-C Indole derivatives OTSUKA CHEMICAL CO LTD (JP) 1994-06-01 — — CN disclosed
US-5238938-A Nephrosis OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1993-08-24 — — US disclosed
CN-1049155-A INDOLE DERIVATIVES OTSUKA CHEMICAL CO LTD (JP) 1991-02-13 — — CN disclosed
EP-0411150-A1 INDOLE DERIVATIVES, PREPARATION THEREOF, AND DRUG FOR PREVENTING AND TREATING NEPHRITIS CONTAINING SAME OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1991-02-06 — — EP 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-20230183206-A1 3,4-DIHYDROISOQUINOLINE COMPOUND AND USE THEREOF PRMT5, PRMT3, PRMT1 ALDH1A1 3595/4885TDP1 1652/4885CTBP2 2633/4885

“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.

Send feedback