SCHEMBL21047717

SCHEMBL21047717

O=C1CCN(c2cc3ccccc3[nH]2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APAF1 O14727 1/20 0.47
CDC25B P30305 1/20 0.47
CASP3 P42574 1/20 0.47
SENP8 Q96LD8 1/20 0.47
SENP7 Q9BQF6 1/20 0.47
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA3 P07451 1/20 0.43
CA4 P22748 1/20 0.43
CA6 P23280 1/20 0.43
CA5A P35218 1/20 0.43
CA7 P43166 1/20 0.43
CA9 Q16790 1/20 0.43
CA13 Q8N1Q1 1/20 0.43
CA14 Q9ULX7 1/20 0.43
CA5B Q9Y2D0 1/20 0.43
DAO P14920 2/20 0.42
BRD4 O60885 1/20 0.42
DDO Q99489 1/20 0.42
HRH4 Q9H3N8 3/20 0.40

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
SCHEMBL21047573 0.90 APAF1 (0.41) APAF1CDC25BCASP3SENP8SENP7
SCHEMBL8087823 0.82 HRH3 (0.50) APAF1CDC25BCASP3SENP8SENP7
SCHEMBL21047730 0.81 APAF1 (0.40) APAF1CDC25BCASP3SENP8SENP7
SCHEMBL2940750 0.81 HRH3 (0.49) APAF1CDC25BCASP3SENP8SENP7
SCHEMBL29684111 0.81 HRH3 (0.49) APAF1CDC25BCASP3SENP8SENP7
SCHEMBL92726 0.79 HRH3 (0.53) APAF1CDC25BCASP3SENP8SENP7
SCHEMBL38661680 0.79 HRH3 (0.53) APAF1CDC25BCASP3SENP8SENP7
Hydrochloric Acid SCHEMBL3714613 0.79 HRH3 (0.47) APAF1CDC25BCASP3SENP8SENP7
SCHEMBL9704853 0.78 APAF1 (0.63) APAF1CDC25BCASP3SENP8SENP7
SCHEMBL7548161 0.78 APAF1 (0.41) APAF1CDC25BCASP3SENP8SENP7

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 APAF1 2621/4885CDC25B 4413/4885CASP3 2711/4885
US-10450253-B2 Preparation process of perfluoroalkyl compound with monohydroperfluoroalkane as starting material PFKFB1, PFKFB4, PFAS APAF1 2621/4885CDC25B 4413/4885CASP3 2711/4885

“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.