SCHEMBL21047745

SCHEMBL21047745

O=C1CCC(Sc2ncccn2)CC1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 6/20 0.49
DDB1 Q16531 5/20 0.49
ALDH1A1 P00352 5/20 0.37
KMT2A Q03164 3/20 0.33
THRB P10828 1/20 0.32
HTT P42858 1/20 0.32
LMNA P02545 1/20 0.32
SMN1; SMN2 Q16637 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
SCHEMBL21826794 0.79 CRBN (0.42) CRBNDDB1ALDH1A1KMT2ATHRB
SCHEMBL21047774 0.78 CRBN (0.54) CRBNDDB1ALDH1A1KMT2A
SCHEMBL12949394 0.77 KDM4E (0.42) CRBNDDB1ALDH1A1KMT2ATHRB
SCHEMBL22324809 0.73 MEN1 (0.46) CRBNDDB1ALDH1A1KMT2A
SCHEMBL28282301 0.72 PDE10A (0.34) CRBNDDB1ALDH1A1LMNASMN1; SMN2
SCHEMBL29587137 0.71 ALDH1A1 (0.40) CRBNDDB1ALDH1A1KMT2AHTT
SCHEMBL21047568 0.71 FAAH (0.30)
SCHEMBL29586994 0.71 LMNA (0.36) CRBNDDB1LMNA
SCHEMBL21047766 0.71 FDPS (0.34) CRBNDDB1
SCHEMBL21047901 0.71 FBP1 (0.44) HTT

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 5 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
CN-109563016-B Method for producing perfluoroalkyl compound using monohydroperfluoroalkane as starting material 关东电化工业株式会社 2022-05-13 CN 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 CRBN 1845/4885DDB1 4487/4885ALDH1A1 505/4885
US-10450253-B2 Preparation process of perfluoroalkyl compound with monohydroperfluoroalkane as starting material PFKFB1, PFKFB4, PFAS CRBN 1845/4885DDB1 4487/4885ALDH1A1 505/4885

“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.