SCHEMBL21047612

SCHEMBL21047612

O=C1CCCN1c1csc2ccccc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 1/20 0.48
▸ DRD3 P35462 1/20 0.48
▸ KCNH2 Q12809 1/20 0.48
▸ MAPT P10636 6/20 0.48
▸ LMNA P02545 3/20 0.48
▸ F10 P00742 1/20 0.45
▸ TP53 P04637 5/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ HPGD P15428 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ CHRNA7 P36544 1/20 0.41
▸ CRHBP P24387 1/20 0.40
▸ CRHR2 Q13324 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ HSD17B10 Q99714 2/20 0.39
▸ ALDH1A1 P00352 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38

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
SCHEMBL20887151 0.75 PRKDC (0.39) KCNH2MAPTTP53HPGDHSD17B10
SCHEMBL29741442 0.72 SCN9A (0.47) MAPTLMNATP53HPGDKDM4E
SCHEMBL29929651 0.72 SCN9A (0.47) MAPTLMNATP53HPGDKDM4E
SCHEMBL611001 0.72 SCN9A (0.47) MAPTLMNATP53HPGDKDM4E
SCHEMBL27327473 0.72 DRD2 (0.46) DRD2DRD3KCNH2MAPTLMNA
SCHEMBL7787664 0.69 HSD17B10 (0.53) TP53HPGDHTTKDM4EGAA
SCHEMBL20995833 0.69 SMN1; SMN2 (0.49) MAPTLMNAF10SMN1; SMN2HPGD
SCHEMBL28282319 0.69 ALDH1A1 (0.49) HPGDKDM4EGAAHSD17B10ALDH1A1
SCHEMBL22997585 0.68 HSD17B10 (0.44) MAPTTP53SMN1; SMN2HPGDL3MBTL1
SCHEMBL3842955 0.68 HSD17B10 (0.44) MAPTTP53SMN1; SMN2HPGDL3MBTL1

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 DRD2 3499/4885DRD3 3582/4885KCNH2 16/4885
US-10450253-B2 Preparation process of perfluoroalkyl compound with monohydroperfluoroalkane as starting material PFKFB1, PFKFB4, PFAS DRD2 3499/4885DRD3 3582/4885KCNH2 16/4885

“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.

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