SCHEMBL2216342

SCHEMBL2216342

O=C(O)CC(CCC(CC(=O)O)(C(=O)O)N1C(=O)CCC1=O)(C(=O)O)N1C(=O)CCC1=O

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.32
CYP2D6 P10635 1/20 0.31
TSHR P16473 1/20 0.31
CYP2C19 P33261 1/20 0.31
HIF1A Q16665 1/20 0.31
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL6847342 0.91 MEN1 (0.31) ALDH1A1
SCHEMBL25217270 0.77 LMNA (0.32) CYP2C19RAB9ASMN1; SMN2
SCHEMBL3719747 0.76 ALDH1A1 (0.34) ALDH1A1CYP2D6TSHRCYP2C19HIF1A
SCHEMBL32675817 0.75 TSHR (0.32) ALDH1A1CYP2D6TSHRCYP2C19HIF1A
SCHEMBL3485305 0.73 ALDH1A1 (0.32) ALDH1A1CYP2D6TSHRCYP2C19HIF1A
Water SCHEMBL6913374 0.72 ALDH1A1 (0.31) ALDH1A1CYP2D6TSHRCYP2C19HIF1A
Ethylene Glycol SCHEMBL413417 0.72 ALDH1A1 (0.31) ALDH1A1CYP2D6TSHRCYP2C19HIF1A
Ethylene Glycol SCHEMBL10584826 0.72 ALDH1A1 (0.31) ALDH1A1CYP2D6TSHRCYP2C19HIF1A
SCHEMBL7762150 0.70 KMT2A (0.36) ALDH1A1TSHRSMN1; SMN2
SCHEMBL712704 0.70 ECE1 (0.32) SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119335172-A Whole blood visual colorimetric test strip for detecting multiple biomarkers 万有生化智能科技(深圳)有限公司 2025-01-21 CN disclosed
US-20110177617-A1 CROSS-LINKING REAGENTS FOR MOLECULAR INTERACTIONS ANALYSIS ETH ZURICH (CH) 2011-07-21 US disclosed
US-6004764-A SCREENING METHODS FOR POTENTIAL THERAPEUTIC AGENTS WHICH REGULATE THE GROWTH OF M. TUBERCULOSIS; METHOD FOR IDENTIFYING GENES OF M. TUBERCULOSIS WHICH ARE REGULATED BY A SIGMA FACTOR OF M. TUBERCULOSIS JOHNS HOPKINS UNIVERSITY (US) 1999-12-21 US disclosed
EP-0910403-A1 STATIONARY PHASE, STRESS RESPONSE SIGMA FACTOR FROM MYCOBACTERIUM TUBERCULOSIS, AND REGULATION THEREOF THE JOHNS-HOPKINS UNIVERSITY (US) 1999-04-28 EP disclosed
WO-1997035611-A1 STATIONARY PHASE, STRESS RESPONSE SIGMA FACTOR FROM MYCOBACTERIUM TUBERCULOSIS, AND REGULATION THEREOF THE JOHNS-HOPKINS UNIVERSITY (US) 1997-10-02 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-20110177617-A1 CROSS-LINKING REAGENTS FOR MOLECULAR INTERACTIONS ANALYSIS MTCL3, BICRA, HMGB3 ALDH1A1 2627/4885CYP2D6 1678/4885TSHR 3927/4885

“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.