SCHEMBL9894101

SCHEMBL9894101

OC1(CC2CO2)CCCCC1

nearest known ligand 0.42

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.33
ALDH1A1 P00352 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL3235610 1.00 CYP2C19 (0.33) CYP2C19ALDH1A1TDP1
SCHEMBL3243523 0.98 ALDH1A1 (0.32) CYP2C19ALDH1A1TDP1
SCHEMBL13292022 0.93
SCHEMBL30576394 0.78 ALDH1A1 (0.32) ALDH1A1TDP1
SCHEMBL8766147 0.77 ALDH1A1 (0.35) ALDH1A1TDP1
SCHEMBL4300995 0.75 ALDH1A1 (0.33) ALDH1A1TDP1
SCHEMBL31413607 0.75 ALDH1A1 (0.33) ALDH1A1TDP1
SCHEMBL31556139 0.72 ALDH1A1 (0.35) ALDH1A1TDP1
SCHEMBL4604426 0.72 SMN1; SMN2 (0.44) ALDH1A1TDP1
SCHEMBL28874086 0.71 ALDH1A1 (0.31) ALDH1A1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109776510-B N-substituted imidazole formate derivative and application thereof 成都麻沸散医药科技有限公司 2023-08-18 CN disclosed
US-11434205-B2 Substituted imidazole carboxylate derivatives and the use thereof CHENGDU MFS PHARMA. CO., LTD. (CN) 2022-09-06 US disclosed
EP-3747869-A1 SUBSTITUTED IMIDAZOLE FORMATE DERIVATIVE AND USE THEREOF CHENGDU MFS PHARMA. CO., LTD. (CN) 2020-12-09 EP disclosed
EP-3747869-A1 SUBSTITUTED IMIDAZOLE FORMATE DERIVATIVE AND USE THEREOF CHENGDU MFS PHARMA. CO., LTD. (CN) 2020-12-09 EP disclosed
US-20200369621-A1 SUBSTITUTED IMIDAZOLECARBOXYLATE DERIVATIVES AND THE USE THEREOF CHENGDU MFS PHARMA. CO., LTD. (CN) 2020-11-26 US disclosed
US-20200369621-A1 SUBSTITUTED IMIDAZOLECARBOXYLATE DERIVATIVES AND THE USE THEREOF CHENGDU MFS PHARMA. CO., LTD. (CN) 2020-11-26 US disclosed
WO-2019149228-A1 SUBSTITUTED IMIDAZOLE FORMATE DERIVATIVE AND USE THEREOF 成都安诺晨创医药科技有限公司 2019-08-08 WO disclosed
US-9228147-B2 Glycol ether-based cyclohexanoate esters, their synthesis and methods of use EXXONMOBIL RESEARCH AND ENGINEERING COMPANY (US) 2016-01-05 US disclosed
WO-2012082826-A1 GLYCOL ETHER-BASED CYCLOHEXANOATE ESTERS, THEIR SYNTHESIS AND METHODS OF USE EXXONMOBIL RESEARCH AND ENGINEERING COMPANY (US) 2012-06-21 WO disclosed
US-20120149620-A1 GLYCOL ETHER-BASED CYCLOHEXANOATE ESTERS, THEIR SYNTHESIS AND METHODS OF USE EXXONMOBIL RESEARCH AND ENGINEERING COMPANY (US) 2012-06-14 US 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 (3 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-11434205-B2 Substituted imidazole carboxylate derivatives and the use thereof SLC6A11, SLC6A13, SLC6A1 CYP2C19 10/4885ALDH1A1 161/4885TDP1 3229/4885
US-20200369621-A1 SUBSTITUTED IMIDAZOLECARBOXYLATE DERIVATIVES AND THE USE THEREOF SLC6A13, SLC6A11, SLC6A1 CYP2C19 5/4885ALDH1A1 396/4885TDP1 3503/4885
US-20120149620-A1 GLYCOL ETHER-BASED CYCLOHEXANOATE ESTERS, THEIR SYNTHESIS AND METHODS OF USE GNE, UGT8, GK CYP2C19 1143/4885ALDH1A1 2138/4885TDP1 878/4885

“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.