SCHEMBL21047740

SCHEMBL21047740

O=C1CCC(Nc2c[nH]c3ccccc23)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCB P05771 1/20 0.46
RAB9A P51151 2/20 0.42
LMNA P02545 5/20 0.41
HTT P42858 3/20 0.41
KMT2A Q03164 2/20 0.41
HPGD P15428 2/20 0.41
RECQL P46063 1/20 0.41
NPC1 O15118 1/20 0.41
CCNT1 O60563 1/20 0.40
CCNK O75909 1/20 0.40
CCNE1 P24864 1/20 0.40
CDK2 P24941 1/20 0.40
CDK7 P50613 1/20 0.40
CDK9 P50750 1/20 0.40
CCNH P51946 1/20 0.40
MNAT1 P51948 1/20 0.40
CDK12 Q9NYV4 1/20 0.40
STING1 Q86WV6 4/20 0.40
HTR2C P28335 2/20 0.40
ADRB2 P07550 1/20 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
SCHEMBL6087781 0.85 LMNA (0.55) PRKCBRAB9ALMNAHTTKMT2A
SCHEMBL651960 0.84 LMNA (0.57) PRKCBRAB9ALMNAHTTKMT2A
SCHEMBL28615180 0.76 HTT (0.40) PRKCBRAB9ALMNAHTTKMT2A
SCHEMBL21047872 0.75 SLC22A6 (0.46) PRKCBRAB9ALMNAHTTKMT2A
SCHEMBL21047775 0.74 KDM4E (0.47) RAB9AKMT2AHPGDIDO1KDM4E
SCHEMBL628780 0.74 HTR2C (0.66) LMNAHTR2CADRB2IDO1KDM4E
SCHEMBL29586436 0.74 KDM4E (0.47) RAB9AKMT2AHPGDIDO1KDM4E
Ethylene SCHEMBL7482134 0.72 HTR2C (0.62) LMNAHTR2CADRB2IDO1KDM4E
SCHEMBL22700026 0.72 CXCR2 (0.41) PRKCBLMNAHTTKMT2AHPGD
SCHEMBL21047652 0.71 IDO1 (0.45) LMNAKMT2AHPGDHTR2CADRB2

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 PRKCB 1372/4885RAB9A 3527/4885LMNA 697/4885
US-10450253-B2 Preparation process of perfluoroalkyl compound with monohydroperfluoroalkane as starting material PFKFB1, PFKFB4, PFAS PRKCB 1372/4885RAB9A 3527/4885LMNA 697/4885

“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.