SCHEMBL21632402

SCHEMBL21632402

CC(O)CSCC(O)CCl

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.48
ALDH1A1 P00352 2/20 0.48
CA1 P00915 3/20 0.36
CA2 P00918 3/20 0.36
CA9 Q16790 2/20 0.36
CA4 P22748 1/20 0.36
CA7 P43166 1/20 0.36
TDP1 Q9NUW8 1/20 0.30
GAA P10253 1/20 0.30

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
SCHEMBL16226096 0.87 CA1 (0.45) TSHRALDH1A1CA1CA2CA9
SCHEMBL21632452 0.84 CA1 (0.40) TSHRALDH1A1CA1CA2CA9
SCHEMBL9815572 0.84 CA1 (0.40) TSHRALDH1A1CA1CA2CA9
SCHEMBL19244088 0.84 CA1 (0.43) TSHRALDH1A1CA1CA2CA9
SCHEMBL4730355 0.81
SCHEMBL28250915 0.80 TSHR (0.48) TSHRALDH1A1CA1CA2CA9
SCHEMBL19417809 0.80 CA1 (0.36) TSHRALDH1A1CA1CA2CA9
SCHEMBL10470059 0.77
SCHEMBL9013820 0.77 TDP1 (0.45) TSHRALDH1A1CA1CA2CA9
SCHEMBL16302734 0.76 CA1 (0.41) TSHRALDH1A1CA1CA2CA9

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-12215184-B2 Polyol or polythiol compound, preparation method therefor, transparent polyurethane-based resin prepared therefrom, and optical body KIM, KEUN SIK (KR) 2025-02-04 US disclosed
US-20240052089-A1 POLYOL OR POLYTHIOL COMPOUND, PREPARATION METHOD THEREFOR, TRANSPARENT POLYURETHANE-BASED RESIN PREPARED THEREFROM, AND OPTICAL BODY KIM, KEUN SIK (KR) 2024-02-15 US disclosed
CN-113372250-B Polythiol compound, process for producing the same, transparent urethane resin produced from the same, and optical body KS试验研究株式会社 2023-12-08 CN disclosed
CN-110300743-B Polyol or polythiol compound, process for producing the same, transparent urethane resin produced therefrom, and optical body KS试验研究株式会社 2023-01-17 CN disclosed
CN-113372250-A Polythiol compound, method for producing same, transparent urethane resin produced therefrom, and optical body KS试验研究株式会社 2021-09-10 CN disclosed
US-20200031986-A1 POLYOL OR POLYTHIOL COMPOUND, PREPARATION METHOD THEREFOR, TRANSPARENT POLYURETHANE-BASED RESIN PREPARED THEREFROM, AND OPTICAL BODY Kim, Keun Sik (KR) 2020-01-30 US disclosed
US-20200031986-A1 POLYOL OR POLYTHIOL COMPOUND, PREPARATION METHOD THEREFOR, TRANSPARENT POLYURETHANE-BASED RESIN PREPARED THEREFROM, AND OPTICAL BODY Kim, Keun Sik (KR) 2020-01-30 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 (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-20240052089-A1 POLYOL OR POLYTHIOL COMPOUND, PREPARATION METHOD THEREFOR, TRANSPARENT POLYURETHANE-BASED RESIN PREPARED THEREFROM, AND OPTICAL BODY THEM6, PUF60, NOTUM TSHR 1747/4885ALDH1A1 2814/4885CA1 2606/4885
US-12215184-B2 Polyol or polythiol compound, preparation method therefor, transparent polyurethane-based resin prepared therefrom, and optical body THEM6, PUF60, NOTUM TSHR 1747/4885ALDH1A1 2814/4885CA1 2606/4885
US-20200031986-A1 POLYOL OR POLYTHIOL COMPOUND, PREPARATION METHOD THEREFOR, TRANSPARENT POLYURETHANE-BASED RESIN PREPARED THEREFROM, AND OPTICAL BODY THEM6, PUF60, NOTUM TSHR 1747/4885ALDH1A1 2814/4885CA1 2606/4885

“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.