SCHEMBL21047733

SCHEMBL21047733

O=C1CCCN(n2ccc3ccccc32)C1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.36
RAB9A P51151 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PRKD3 O94806 1/20 0.36
PRKCG P05129 1/20 0.36
PRKCB P05771 1/20 0.36
PRKCA P17252 1/20 0.36
PRKACA P17612 1/20 0.36
PRKACG P22612 1/20 0.36
PRKACB P22694 1/20 0.36
PRKCH P24723 1/20 0.36
PRKCI P41743 1/20 0.36
PRKCE Q02156 1/20 0.36
PRKCQ Q04759 1/20 0.36
PRKCZ Q05513 1/20 0.36
PRKCD Q05655 1/20 0.36
PRKD1 Q15139 1/20 0.36
CDK4 P11802 4/20 0.34
CCND1 P24385 4/20 0.34
NOTUM Q6P988 2/20 0.34

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
SCHEMBL21047575 0.90 TSHR (0.38) TSHRRAB9AL3MBTL1PRKD3PRKCG
SCHEMBL21047721 0.81 TSHR (0.39) TSHRRAB9AL3MBTL1PRKD3PRKCG
SCHEMBL8087820 0.81 CDK4 (0.42) TSHRRAB9AL3MBTL1PRKD3PRKCG
SCHEMBL3717533 0.79 CDK4 (0.41) TSHRRAB9AL3MBTL1PRKD3PRKCG
Hydrochloric Acid SCHEMBL3714611 0.78 CDK4 (0.39) TSHRRAB9AL3MBTL1PRKD3PRKCG
SCHEMBL21047632 0.74 MKNK1 (0.42) TSHRKMT2AMEN1ALDH1A1LMNA
SCHEMBL29532110 0.71 NOTUM (0.39) TSHRRAB9AL3MBTL1PRKD3PRKCG
Hydrochloric Acid SCHEMBL30530520 0.70 NOTUM (0.38) TSHRRAB9AL3MBTL1PRKD3PRKCG
SCHEMBL18379331 0.70 CDK4 (0.54) TSHRRAB9AL3MBTL1PRKD3PRKCG
SCHEMBL21047845 0.70 TRIM24 (0.31)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3495341-B1 PREPARATION PROCESS OF PERFLUOROALKYL COMPOUND WITH MONOHYDROPERFLUOROALKANE AS STARTING MATERIAL KANTO DENKA KOGYO KK (JP) 2022-11-02 EP disclosed
US-10450253-B2 Preparation process of perfluoroalkyl compound with monohydroperfluoroalkane as starting material KANTO DENKA KOGYO CO., LTD. (JP) 2019-10-22 US disclosed
EP-3495341-A1 METHOD FOR PRODUCING PERFLUOROALKYL COMPOUND USING MONOHYDROPERFLUOROALKANE AS STARTING MATERIAL Kanto Denka Kogyo Co., Ltd. (JP) 2019-06-12 EP disclosed
US-20190169107-A1 PREPARATION PROCESS OF PERFLUOROALKYL COMPOUND WITH MONOHYDROPERFLUOROALKANE AS STARTING MATERIAL NATIONAL UNIVERSITY CORPORATION GUNMA UNIVERSITY (JP) 2019-06-06 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-20190169107-A1 PREPARATION PROCESS OF PERFLUOROALKYL COMPOUND WITH MONOHYDROPERFLUOROALKANE AS STARTING MATERIAL PFKFB1, PFKFB4, PFAS TSHR 2116/4885RAB9A 3527/4885L3MBTL1 4323/4885
US-10450253-B2 Preparation process of perfluoroalkyl compound with monohydroperfluoroalkane as starting material PFKFB1, PFKFB4, PFAS TSHR 2116/4885RAB9A 3527/4885L3MBTL1 4323/4885

“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.