SCHEMBL14804300

SCHEMBL14804300

Brc1ccc(C2(c3ccc(Br)cc3)CCCC2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 4/20 0.58
ESR2 Q92731 4/20 0.58
ALDH1A1 P00352 5/20 0.56
L3MBTL1 Q9Y468 2/20 0.56
CYP2A6 P11509 1/20 0.42
LMNA P02545 2/20 0.40
MAPT P10636 1/20 0.40
ALOX12 P18054 1/20 0.40
HTT P42858 1/20 0.40
PSMB1 P20618 1/20 0.38
PSMB5 P28074 1/20 0.38
PSMB2 P49721 1/20 0.38
HDAC1 Q13547 2/20 0.37
ACHE P22303 1/20 0.35
OPRM1 P35372 2/20 0.34
LIG1 P18858 1/20 0.34
MAPK1 P28482 2/20 0.34
POLB P06746 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ADORA3 P0DMS8 1/20 0.34

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
SCHEMBL6205256 0.97 ESR1 (0.60) ESR1ESR2ALDH1A1L3MBTL1CYP2A6
SCHEMBL14804301 0.97 ESR1 (0.60) ESR1ESR2ALDH1A1L3MBTL1CYP2A6
SCHEMBL11990211 0.87 ESR1 (0.50) ESR1ESR2ALDH1A1L3MBTL1
SCHEMBL14260454 0.87 ESR1 (0.80) ESR1ESR2ALDH1A1L3MBTL1LMNA
SCHEMBL12893215 0.82 SLC6A4 (0.50) ESR1ESR2ALDH1A1L3MBTL1LMNA
SCHEMBL23198889 0.80 OPRM1 (0.52) ESR1ESR2ALDH1A1L3MBTL1CYP2A6
SCHEMBL14804313 0.80 OPRM1 (0.52) ESR1ESR2ALDH1A1L3MBTL1CYP2A6
SCHEMBL14804316 0.80 OPRM1 (0.52) ESR1ESR2ALDH1A1L3MBTL1CYP2A6
SCHEMBL12893216 0.78 PSMB1 (0.50) ESR1ESR2ALDH1A1L3MBTL1MAPT
SCHEMBL7683232 0.78 ESR2 (0.64) ESR1ESR2ALDH1A1L3MBTL1CYP2A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11920040-B2 Carborhodamine compounds and methods of preparation thereof ELITECHGROUP MDX LLC (US) 2024-03-05 US disclosed
US-20230105320-A1 CARBORHODAMINE COMPOUNDS AND METHODS OF PREPARATION THEREOF ELITECHGROUP MDX LLC (US) 2023-04-06 US disclosed
US-20230105320-A1 CARBORHODAMINE COMPOUNDS AND METHODS OF PREPARATION THEREOF ELITECHGROUP MDX LLC (US) 2023-04-06 US disclosed
US-11618826-B2 Carborhodamine compounds and methods of preparation thereof ELITECHGROUP MDX LLC (US) 2023-04-04 US disclosed
US-20220002549-A1 CARBORHODAMINE COMPOUNDS AND METHODS OF PREPARATION THEREOF ELITECHGROUP, INC. (US) 2022-01-06 US disclosed
US-11155713-B2 Carborhodamine compounds and methods of preparation thereof ELITECHGROUP, INC. (US) 2021-10-26 US disclosed
EP-3802526-A1 CARBORHODAMINE COMPOUNDS AND METHODS OF PREPARATION THEREOF ELITechGroup, Inc. (US) 2021-04-14 EP disclosed
US-20130075714-A1 POLYMER, POLYMER COMPOSITION AND ORGANIC LIGHT-EMITTING DEVICE SUMTOMO CHEMICAL COMPANY LIMITED (JP) 2013-03-28 US disclosed
US-20130075714-A1 POLYMER, POLYMER COMPOSITION AND ORGANIC LIGHT-EMITTING DEVICE SUMTOMO CHEMICAL COMPANY LIMITED (JP) 2013-03-28 US disclosed