SCHEMBL4556064

SCHEMBL4556064

CCCCC(C)N1CCCCC1

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.44
MAPT P10636 2/20 0.37
ALDH1A1 P00352 1/20 0.37
L3MBTL1 Q9Y468 3/20 0.36
MAPK1 P28482 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
KDM2B Q8NHM5 1/20 0.35
SIGMAR1 Q99720 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
DNM1 Q05193 1/20 0.32

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
SCHEMBL24114952 1.00 HRH3 (0.44) HRH3MAPTALDH1A1L3MBTL1MAPK1
Water SCHEMBL28467825 0.98 HRH3 (0.42) HRH3MAPTALDH1A1L3MBTL1MAPK1
SCHEMBL28237829 0.98 HRH3 (0.41) HRH3MAPTALDH1A1L3MBTL1MAPK1
SCHEMBL3869954 0.98 HRH3 (0.41) HRH3MAPTALDH1A1L3MBTL1MAPK1
Water SCHEMBL22609081 0.95 HRH3 (0.40) HRH3MAPTALDH1A1KDM2BCYP3A4
SCHEMBL4274466 0.93 OPRM1 (0.39) HRH3MAPTALDH1A1L3MBTL1MAPK1
SCHEMBL28224805 0.93 OPRM1 (0.39) HRH3MAPTALDH1A1L3MBTL1MAPK1
SCHEMBL24604493 0.93 OPRM1 (0.39) HRH3MAPTALDH1A1L3MBTL1MAPK1
SCHEMBL15740500 0.91 HRH3 (0.38) HRH3MAPTALDH1A1L3MBTL1MAPK1
SCHEMBL24998924 0.91 HRH3 (0.38) HRH3MAPTALDH1A1L3MBTL1MAPK1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117043136-A Fluorine-based ionic liquid and method for producing same 第一工业制药株式会社 2023-11-10 CN disclosed
EP-3885342-A1 BICYCLIC INHIBITORS OF PAD4 Padlock Therapeutics, Inc. (US) 2021-09-29 EP disclosed
US-20180111913-A1 SUBSTITUTED BENZOFURAN DERIVATIVES AS NOVEL ANTIMYCOBACTERIAL AGENTS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2018-04-26 US disclosed
EP-2322504-B9 PROCESS FOR THE PREPARATION OF N-SUBSTITUTED CARBAMIC ACID ESTER AND PROCESS FOR THE PREPARATION OF ISOCYANATE USING THE N-SUBSTITUTED CARBAMIC ACID ESTER ASAHI CHEMICAL IND (JP) 2017-09-06 EP disclosed
US-20120309938-A1 HEMIASTERLIN DERIVATIVES AND USES THEREOF IN THE TREATMENT OF CANCER EISAI CO., LTD. (JP) 2012-12-06 US disclosed
US-20090270355-A1 Compounds GLAXO GROUP LIMITED (GB) 2009-10-29 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 (3 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-20180111913-A1 SUBSTITUTED BENZOFURAN DERIVATIVES AS NOVEL ANTIMYCOBACTERIAL AGENTS ACAT1, ACAT2, FNTB HRH3 3478/4885MAPT 1091/4885ALDH1A1 3132/4885
US-20120309938-A1 HEMIASTERLIN DERIVATIVES AND USES THEREOF IN THE TREATMENT OF CANCER DHCR7, HSD17B7, HCCS HRH3 579/4885MAPT 4790/4885ALDH1A1 1088/4885
US-20090270355-A1 Compounds CMA1, HRH4, CCL11 HRH3 10/4885MAPT 1962/4885ALDH1A1 1252/4885

“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.