SCHEMBL21047683

SCHEMBL21047683

O=C1CCC(N(c2cccc3cc4cc5cc6cc7ccccc7cc6cc5cc4cc23)c2cccc3cc4cc5cc6cc7ccccc7cc6cc5cc4cc23)CC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.35
HTR7 P34969 1/20 0.35
ALDH1A1 P00352 2/20 0.34
KDM4E B2RXH2 1/20 0.34
GAA P10253 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
DPP8 Q6V1X1 1/20 0.32
DPP9 Q86TI2 1/20 0.32
DPP7 Q9UHL4 1/20 0.32
SLC6A4 P31645 2/20 0.32
CYP1A2 P05177 2/20 0.31
MEN1 O00255 1/20 0.31
MITF O75030 1/20 0.31
MAPT P10636 1/20 0.31
CYP2C9 P11712 1/20 0.31
PKM P14618 1/20 0.31
MAPK1 P28482 1/20 0.31
RAB9A P51151 1/20 0.31
CCR6 P51684 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL21047595 1.00 HTR1A (0.35) HTR1AHTR7ALDH1A1KDM4EGAA
SCHEMBL21047584 1.00 HTR1A (0.35) HTR1AHTR7ALDH1A1KDM4EGAA
SCHEMBL29586908 0.98 HTR1A (0.36) HTR1AHTR7ALDH1A1KDM4EGAA
SCHEMBL21047600 0.84 DPP8 (0.42) HTR1AHTR7ALDH1A1KDM4ESIGMAR1
SCHEMBL29587147 0.84 DPP8 (0.42) HTR1AHTR7ALDH1A1KDM4ESIGMAR1
SCHEMBL21047735 0.78 HTR1A (0.38) HTR1AHTR7ALDH1A1KDM4EGAA
SCHEMBL21047714 0.71 KDM4E (0.41) ALDH1A1KDM4EGAAMEN1MAPT
SCHEMBL21047608 0.71 KDM4E (0.41) ALDH1A1KDM4EGAAMEN1MAPT
SCHEMBL21047876 0.71 ALDH1A1 (0.34) ALDH1A1KDM4EGAACYP1A2MEN1
SCHEMBL21049800 0.71 ALDH1A1 (0.34) ALDH1A1KDM4EGAACYP1A2MEN1

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 HTR1A 3324/4885HTR7 2296/4885ALDH1A1 505/4885
US-10450253-B2 Preparation process of perfluoroalkyl compound with monohydroperfluoroalkane as starting material PFKFB1, PFKFB4, PFAS HTR1A 3324/4885HTR7 2296/4885ALDH1A1 505/4885

“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.