SCHEMBL24435666

SCHEMBL24435666

C=C(C)C(=O)OC1CC(C)(C)N(SSN2C(CC)(CC)CC(OC(=O)C(=C)C)CC2(CC)CC)C(C)(C)C1

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.32
KMT2A Q03164 1/20 0.32
ALDH1A1 P00352 1/20 0.31
ESR1 P03372 1/20 0.31
HSD17B10 Q99714 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
SCHEMBL26163343 0.96 TSHR (0.33) TSHRKMT2AALDH1A1ESR1HSD17B10
SCHEMBL24435699 0.93 ALDH1A1 (0.32) ALDH1A1
SCHEMBL24933014 0.89
SCHEMBL24435665 0.89 TSHR (0.38) TSHRKMT2AALDH1A1ESR1HSD17B10
SCHEMBL24435664 0.87 TSHR (0.32) TSHRKMT2AALDH1A1ESR1HSD17B10
SCHEMBL24435667 0.87 TSHR (0.32) TSHRKMT2AALDH1A1ESR1HSD17B10
SCHEMBL26163341 0.85 TSHR (0.33) TSHRKMT2AALDH1A1ESR1HSD17B10
SCHEMBL24160941 0.83 TSHR (0.32) TSHRKMT2AALDH1A1ESR1HSD17B10
SCHEMBL24933010 0.81 TSHR (0.30) TSHRKMT2A
SCHEMBL24435698 0.81 ALDH1A1 (0.31) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11667609-B2 Compound, composition containing said compound, self-healing material, surface coating agent, paint, adhesive, material for battery and cured product ADEKA CORPORATION (JP) 2023-06-06 US disclosed
US-11667609-B2 Compound, composition containing said compound, self-healing material, surface coating agent, paint, adhesive, material for battery and cured product ADEKA CORPORATION (JP) 2023-06-06 US disclosed
US-20220153698-A1 NOVEL COMPOUND, COMPOSITION CONTAINING SAID COMPOUND, SELF-HEALING MATERIAL, SURFACE COATING AGENT, PAINT, ADHESIVE, MATERIAL FOR BATTERY AND CURED PRODUCT ADEKA CORPORATION (JP) 2022-05-19 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 (2 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-11667609-B2 Compound, composition containing said compound, self-healing material, surface coating agent, paint, adhesive, material for battery and cured product H1-0, H1-10, RAD51 TSHR 4534/4885KMT2A 156/4885ALDH1A1 323/4885
US-20220153698-A1 NOVEL COMPOUND, COMPOSITION CONTAINING SAID COMPOUND, SELF-HEALING MATERIAL, SURFACE COATING AGENT, PAINT, ADHESIVE, MATERIAL FOR BATTERY AND CURED PRODUCT H1-0, H1-10, RAD51 TSHR 4592/4885KMT2A 340/4885ALDH1A1 367/4885

“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.