SCHEMBL21047741

SCHEMBL21047741

O=C1CCN(c2c3ccccc3cc3ccccc23)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPEPPS P55786 1/20 0.41
APAF1 O14727 1/20 0.40
CDC25B P30305 1/20 0.40
CASP3 P42574 1/20 0.40
SENP8 Q96LD8 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
ALDH1A1 P00352 5/20 0.37
HPGD P15428 2/20 0.37
HSD17B10 Q99714 2/20 0.37
KDM4E B2RXH2 2/20 0.37
MEN1 O00255 1/20 0.37
CYP1A2 P05177 1/20 0.37
GLA P06280 1/20 0.37
CYP2C19 P33261 1/20 0.37
KMT2A Q03164 1/20 0.37
CYP3A4 P08684 1/20 0.36
LOXL2 Q9Y4K0 1/20 0.36
MAPT P10636 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
CES1 P23141 1/20 0.35

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
SCHEMBL21047606 0.89 NPEPPS (0.40) NPEPPSAPAF1CDC25BCASP3SENP8
SCHEMBL19972406 0.80 HCAR1 (0.43) ALDH1A1CYP1A2KMT2AMAPT
SCHEMBL21047778 0.80 NPEPPS (0.38) NPEPPSAPAF1CDC25BCASP3SENP8
SCHEMBL28282376 0.77 HTR1A (0.44) ALDH1A1HPGDHSD17B10KDM4ECYP1A2
SCHEMBL12551010 0.76 MAPK14 (0.41) NPEPPSAPAF1CDC25BCASP3SENP8
SCHEMBL21047809 0.76 HTR1A (0.42) ALDH1A1HPGDHSD17B10KDM4ECYP1A2
SCHEMBL21047579 0.76 HTR1A (0.42) ALDH1A1HPGDHSD17B10KDM4ECYP1A2
SCHEMBL21047657 0.76 HTR1A (0.42) ALDH1A1HPGDHSD17B10KDM4ECYP1A2
SCHEMBL7562950 0.74 HTR1A (0.61) ALDH1A1HPGDHSD17B10KDM4ECYP1A2
SCHEMBL3496657 0.73 ACACB (0.54) ALDH1A1HPGDHSD17B10KDM4EMEN1

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 NPEPPS 3075/4885APAF1 2621/4885CDC25B 4413/4885
US-10450253-B2 Preparation process of perfluoroalkyl compound with monohydroperfluoroalkane as starting material PFKFB1, PFKFB4, PFAS NPEPPS 3075/4885APAF1 2621/4885CDC25B 4413/4885

“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.