SCHEMBL21047871

SCHEMBL21047871

O=C1CCC(Oc2cc3ccccc3[nH]2)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA3 P07451 1/20 0.41
CA4 P22748 1/20 0.41
CA6 P23280 1/20 0.41
CA5A P35218 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA13 Q8N1Q1 1/20 0.41
CA14 Q9ULX7 1/20 0.41
CA5B Q9Y2D0 1/20 0.41
DAO P14920 2/20 0.40
BRD4 O60885 1/20 0.40
DDO Q99489 1/20 0.40
CHEK1 O14757 1/20 0.38
KDR P35968 1/20 0.38
ALDH1A1 P00352 2/20 0.38
PTPN2 P17706 1/20 0.38
PTPN1 P18031 1/20 0.38
PYGL P06737 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
SCHEMBL29586664 1.00 CA12 (0.41) CA12CA1CA3CA4CA6
SCHEMBL29587523 0.71 CA12 (0.40) CA12CA1CA3CA4CA6
SCHEMBL21047646 0.71 CA12 (0.43) CA12CA1CA3CA4CA6
SCHEMBL29587209 0.71 AHR (0.44) CA12CA1CA3CA4CA6
SCHEMBL21047711 0.71 RAB9A (0.42) CA12CA1CA3CA4CA6
SCHEMBL21047739 0.71 AHR (0.44) CA12CA1CA3CA4CA6
SCHEMBL21047719 0.71 KDM4C (0.42) ALDH1A1KDM4EAOC3HSD17B10
SCHEMBL21047649 0.71 CA12 (0.40) CA12CA1CA3CA4CA6
SCHEMBL29587055 0.71 CA12 (0.43) CA12CA1CA3CA4CA6
SCHEMBL16069456 0.70 PRKAG1 (0.40) KDM4EHPGD

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 CA12 2048/4885CA1 1820/4885CA3 1209/4885
US-10450253-B2 Preparation process of perfluoroalkyl compound with monohydroperfluoroalkane as starting material PFKFB1, PFKFB4, PFAS CA12 2048/4885CA1 1820/4885CA3 1209/4885

“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.