SCHEMBL29311434

SCHEMBL29311434

CCCOC(=O)c1ccc(C(=O)OCCOC(=O)c2ccc(C(=O)OCCO)cc2)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.70
▸ TSHR P16473 3/20 0.70
▸ ESR1 P03372 3/20 0.70
▸ TDP1 Q9NUW8 2/20 0.70
▸ CHRM1 P11229 1/20 0.70
▸ SLC6A2 P23975 1/20 0.70
▸ KDR P35968 1/20 0.70
▸ LMNA P02545 4/20 0.67
▸ STS P08842 2/20 0.57
▸ SMN1; SMN2 Q16637 3/20 0.56
▸ CYP1A2 P05177 2/20 0.56
▸ CYP2C19 P33261 2/20 0.56
▸ CYP2D6 P10635 1/20 0.56
▸ MAPK1 P28482 1/20 0.56
▸ NR1H2 P55055 1/20 0.56
▸ RNASEL Q05823 1/20 0.56
▸ HPGD P15428 3/20 0.55
▸ CYP3A4 P08684 1/20 0.54
▸ CYP2C9 P11712 1/20 0.54
▸ PDE4D Q08499 1/20 0.54

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
SCHEMBL12092864 0.98 ALDH1A1 (0.72) ALDH1A1TSHRESR1TDP1CHRM1
SCHEMBL27358062 0.91 ALDH1A1 (0.59) ALDH1A1TSHRESR1TDP1CHRM1
SCHEMBL49950 0.90 ALDH1A1 (0.84) ALDH1A1TSHRESR1TDP1CHRM1
SCHEMBL19235060 0.90 TDP1 (0.54) ALDH1A1TSHRESR1TDP1CHRM1
SCHEMBL13292517 0.90 TDP1 (0.54) ALDH1A1TSHRESR1TDP1CHRM1
SCHEMBL26453328 0.90 TDP1 (0.54) ALDH1A1TSHRESR1TDP1CHRM1
SCHEMBL26474618 0.89 CA1 (0.63) ALDH1A1TSHRESR1TDP1CHRM1
SCHEMBL28758641 0.88 ALDH1A1 (0.81) ALDH1A1TSHRESR1TDP1CHRM1
SCHEMBL27647510 0.88 ALDH1A1 (0.81) ALDH1A1TSHRESR1TDP1CHRM1
SCHEMBL27667922 0.88 ALDH1A1 (0.81) ALDH1A1TSHRESR1TDP1CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240228421-A1 COMPOSITION AND METHOD FOR PREPARING THE SAME INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 2024-07-11 — — 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 (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-20240228421-A1 COMPOSITION AND METHOD FOR PREPARING THE SAME TERT, POLH, USP13 ALDH1A1 790/4885TSHR 3608/4885ESR1 3105/4885

“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.

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