SCHEMBL17891302

SCHEMBL17891302

C=C(C)C(=O)OC(CCc1ccccc1)Cc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MMP12 P39900 2/20 0.47
ALDH1A1 P00352 1/20 0.41
TSHR P16473 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CTSK P43235 2/20 0.41
HPGD P15428 1/20 0.40
ALPI P09923 1/20 0.40
PKM P14618 1/20 0.40
PTGS1 P23219 1/20 0.40
XIAP P98170 1/20 0.40
SLC7A5 Q01650 1/20 0.40
MME P08473 1/20 0.40
KEAP1 Q14145 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
PPARG P37231 2/20 0.39
PPARA Q07869 2/20 0.39

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
SCHEMBL17891299 0.92 MMP12 (0.50) MMP12ALDH1A1TSHRSMN1; SMN2HPGD
SCHEMBL29061553 0.90 MMP12 (0.48) MMP12ALDH1A1TSHRSMN1; SMN2CTSK
SCHEMBL13572273 0.88 CTSK (0.52) TSHRCTSKALPIPKMPTGS1
SCHEMBL29023304 0.87 MMP12 (0.46) MMP12ALDH1A1TSHRSMN1; SMN2CTSK
SCHEMBL15949718 0.85 TSHR (0.46) MMP12ALDH1A1TSHRSMN1; SMN2HPGD
SCHEMBL28199415 0.85 CTSK (0.51) ALDH1A1TSHRCTSKALPIPKM
SCHEMBL3294600 0.83 CTSK (0.48) ALDH1A1CTSK
SCHEMBL10632039 0.83 ALDH1A1 (0.44) MMP12ALDH1A1TSHRSMN1; SMN2HPGD
SCHEMBL6545250 0.82 ALDH1A1 (0.43) MMP12ALDH1A1TSHRSMN1; SMN2HPGD
SCHEMBL6950454 0.81 KEAP1 (0.47) MMP12TSHRCTSKMMEKEAP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025022004-A2 OPHTHALMIC LENS CONTAMAC LIMITED (GB) 2025-01-30 WO disclosed
US-20160194424-A1 MONOMERS FOR USE IN A POLYMERIZABLE COMPOSITION AND HIGH REFRACTIVE INDEX POLYMER FOR OPTHALMIC APPLICATIONS CONTAMAC LIMITED (GB) 2016-07-07 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-20160194424-A1 MONOMERS FOR USE IN A POLYMERIZABLE COMPOSITION AND HIGH REFRACTIVE INDEX POLYMER FOR OPTHALMIC APPLICATIONS NR2E3, NR1I2, NR1I3 MMP12 2834/4885ALDH1A1 267/4885TSHR 1851/4885

“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.