SCHEMBL16140641

SCHEMBL16140641

C=C(C)C(=O)CC(=O)C(=C)C

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.45
TDP1 Q9NUW8 3/20 0.44
CA1 P00915 2/20 0.38
TGFBR1 P36897 1/20 0.36
TSHR P16473 1/20 0.35
CA4 P22748 2/20 0.33
HSD17B10 Q99714 1/20 0.33
KDM4E B2RXH2 1/20 0.33
CA2 P00918 1/20 0.33
PTGS1 P23219 1/20 0.33
MMP12 P39900 1/20 0.33
LMNA P02545 1/20 0.33
THRB P10828 1/20 0.32
MGAM O43451 2/20 0.32
GAA P10253 2/20 0.32
SI P14410 2/20 0.32
MGAM2 Q2M2H8 2/20 0.32

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
SCHEMBL515405 0.87
SCHEMBL3459289 0.84
SCHEMBL6690618 0.84 ALDH1A1 (0.59) ALDH1A1TDP1TSHRHSD17B10THRB
SCHEMBL6141271 0.82
SCHEMBL3135275 0.80 KDM4E (0.42) ALDH1A1TDP1TGFBR1KDM4EMGAM
SCHEMBL4817136 0.80 TDP1 (0.45) ALDH1A1TDP1TGFBR1TSHRHSD17B10
SCHEMBL15759387 0.79 TDP1 (0.44) ALDH1A1TDP1CA1TSHRCA4
Methacrylic Acid SCHEMBL8425144 0.78 ALOX15 (0.43) ALDH1A1TDP1TGFBR1HSD17B10
SCHEMBL12326545 0.78 ALDH1A1 (0.35) ALDH1A1TDP1
SCHEMBL14150786 0.78 ALDH1A1 (0.35) 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11753387-B2 Compounds for optically active devices Johnson & Johnson Surgical Vision, Inc. (US) 2023-09-12 US disclosed
US-11702396-B2 Hydrophobic compounds for optically active devices Johnson & Johnson Surgical Vision, Inc. (US) 2023-07-18 US disclosed
US-20230203214-A1 AZACOUMARIN AND AZATHIOCOUMARIN DERIVATIVES FOR USE IN OPTICALLY ACTIVE DEVICES AMO Ireland (IE) 2023-06-29 US disclosed
US-20160377980-A1 RESIST COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-12-29 US disclosed
US-20150111812-A1 POLYSACCHARIDE-BASED HYDROGELS AND HYBRID HYDROGELS AND PRECURSORS THEREOF, METHODS OF MAKING SAME, AND USES THEREOF CORNELL UNIVERSITY 2015-04-23 US disclosed
US-20150111812-A1 POLYSACCHARIDE-BASED HYDROGELS AND HYBRID HYDROGELS AND PRECURSORS THEREOF, METHODS OF MAKING SAME, AND USES THEREOF CORNELL UNIVERSITY 2015-04-23 US disclosed
WO-2014160762-A1 ULTRAVIOLET CURABLE PRESSURE SENSITIVE ADHESIVES ASHLAND LICENSING AND INTELLECTUAL PROPERTY LLC (US) 2014-10-02 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 (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-11702396-B2 Hydrophobic compounds for optically active devices UACA, CRYZ, TRPA1 ALDH1A1 1851/4885TDP1 3811/4885CA1 4738/4885
US-11753387-B2 Compounds for optically active devices PDE6C, PDE6A, PDE6D ALDH1A1 388/4885TDP1 2618/4885CA1 4113/4885
US-20150111812-A1 POLYSACCHARIDE-BASED HYDROGELS AND HYBRID HYDROGELS AND PRECURSORS THEREOF, METHODS OF MAKING SAME, AND USES THEREOF CD44, CHIA, ARG1 ALDH1A1 2264/4885TDP1 1362/4885CA1 1508/4885

“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.