SCHEMBL21047872

SCHEMBL21047872

O=C1CCC(Oc2c[nH]c3ccccc23)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC22A6 Q4U2R8 2/20 0.46
ATM Q13315 1/20 0.43
HTR2C P28335 2/20 0.40
ADRB2 P07550 1/20 0.40
LMNA P02545 4/20 0.39
MAPT P10636 4/20 0.39
IDO1 P14902 3/20 0.39
ALDH1A1 P00352 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
KDM4E B2RXH2 2/20 0.39
HPGD P15428 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
PBRM1 Q86U86 1/20 0.39
HTR3E A5X5Y0 3/20 0.39
HTR3B O95264 3/20 0.39
HTR3A P46098 3/20 0.39
HTR3D Q70Z44 3/20 0.39
HTR3C Q8WXA8 3/20 0.39
HTT P42858 2/20 0.39

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
SCHEMBL22534010 0.87 SLC22A6 (0.50) SLC22A6ATMHTR2CADRB2LMNA
SCHEMBL21047740 0.75 PRKCB (0.46) HTR2CADRB2LMNAMAPTIDO1
SCHEMBL628780 0.74 HTR2C (0.66) ATMHTR2CADRB2LMNAMAPT
SCHEMBL21047681 0.74 MEN1 (0.47) ALDH1A1KDM4EHPGDMEN1KMT2A
Ethylene SCHEMBL7482134 0.72 HTR2C (0.62) ATMHTR2CADRB2LMNAMAPT
SCHEMBL21047648 0.71 SLC6A4 (0.43) HTR2CADRB2LMNAMAPTIDO1
SCHEMBL21047652 0.71 IDO1 (0.45) HTR2CADRB2LMNAMAPTIDO1
SCHEMBL21055229 0.70 SLC6A2 (0.51) HTR2CHPGDSLC6A4HTR1AHRH1
SCHEMBL6535531 0.69 SLC22A6 (0.58) SLC22A6ATMHTR2CMAPTMEN1
SCHEMBL3538344 0.69 SLC22A6 (0.58) SLC22A6ATMHTR2CMAPTMEN1

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 SLC22A6 2661/4885ATM 1296/4885HTR2C 3042/4885
US-10450253-B2 Preparation process of perfluoroalkyl compound with monohydroperfluoroalkane as starting material PFKFB1, PFKFB4, PFAS SLC22A6 2661/4885ATM 1296/4885HTR2C 3042/4885

“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.