SCHEMBL7779126

SCHEMBL7779126

C=C(C)C(=O)OCC(CC)CC(C)CO

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.53
THRB P10828 1/20 0.39
ALDH1A1 P00352 2/20 0.33
CYP3A4 P08684 1/20 0.32
ATM Q13315 1/20 0.32
TDP1 Q9NUW8 1/20 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
SCHEMBL2442706 0.87 TSHR (0.52) TSHRTHRBALDH1A1CYP3A4ATM
SCHEMBL497290 0.86 TSHR (0.59) TSHRTHRBALDH1A1CYP3A4ATM
SCHEMBL23494101 0.85 TSHR (0.63) TSHRTHRBALDH1A1CYP3A4ATM
SCHEMBL481538 0.84 TSHR (0.57) TSHRTHRBALDH1A1CYP3A4ATM
SCHEMBL7778317 0.84 TSHR (0.50) TSHRTHRBALDH1A1CYP3A4ATM
SCHEMBL489030 0.83 TSHR (0.60) TSHRTHRBALDH1A1
SCHEMBL7779129 0.83 TSHR (0.33) TSHRCYP3A4ATMTDP1
SCHEMBL75001 0.82 TSHR (0.63) TSHRTHRBALDH1A1CYP3A4ATM
SCHEMBL3974700 0.82 TSHR (0.63) TSHRTHRBALDH1A1CYP3A4ATM
SCHEMBL22549211 0.81 TSHR (0.58) TSHRTHRBALDH1A1CYP3A4ATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11820844-B2 Charge-modified particles and methods of making the same 3M INNOVATIVE PROPERTIES COMPANY (US) 2023-11-21 US claimed
US-20210009811-A1 MODIFIED ALUMINUM NITRIDE PARTICLES AND METHODS OF MAKING THE SAME 3M INNOVATIVE PROPERTIES COMPANY 2021-01-14 US claimed
US-20210002137-A1 CHARGE-MODIFIED PARTICLES AND METHODS OF MAKING THE SAME 3M INNOVATIVE PROPERTIES COMPANY 2021-01-07 US claimed
US-11820844-B2 Charge-modified particles and methods of making the same 3M INNOVATIVE PROPERTIES COMPANY (US) 2023-11-21 US disclosed
EP-3768794-B1 CHARGE-MODIFIED PARTICLES AND METHODS OF MAKING THE SAME 3M INNOVATIVE PROPERTIES CO (US) 2021-04-28 EP disclosed
EP-3768655-A1 MODIFIED ALUMINUM NITRIDE PARTICLES AND METHODS OF MAKING THE SAME 3M Innovative Properties Company (US) 2021-01-27 EP disclosed
EP-3768794-A2 CHARGE-MODIFIED PARTICLES AND METHODS OF MAKING THE SAME 3M Innovative Properties Company (US) 2021-01-27 EP disclosed
US-20210009811-A1 MODIFIED ALUMINUM NITRIDE PARTICLES AND METHODS OF MAKING THE SAME 3M INNOVATIVE PROPERTIES COMPANY 2021-01-14 US disclosed
US-20210002137-A1 CHARGE-MODIFIED PARTICLES AND METHODS OF MAKING THE SAME 3M INNOVATIVE PROPERTIES COMPANY 2021-01-07 US disclosed
WO-2019180619-A1 MODIFIED ALUMINUM NITRIDE PARTICLES AND METHODS OF MAKING THE SAME 3M INNOVATIVE PROPERTIES COMPANY (US) 2019-09-26 WO disclosed
WO-2019180621-A2 CHARGE-MODIFIED PARTICLES AND METHODS OF MAKING THE SAME 3M INNOVATIVE PROPERTIES COMPANY (US) 2019-09-26 WO disclosed
EP-0909752-B1 DI(METH)ACRYLATES KYOWA YUKA KK (JP) 2001-09-05 EP disclosed
EP-0909752-A1 DI(METH)ACRYLATES Kyowa Yuka Co., Ltd. (JP) 1999-04-21 EP 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-20210002137-A1 CHARGE-MODIFIED PARTICLES AND METHODS OF MAKING THE SAME PCTP, MBOAT1, CA13 TSHR 1659/4885THRB 3742/4885ALDH1A1 3429/4885

“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.