SCHEMBL6205256

SCHEMBL6205256

Brc1ccc(C2(c3ccc(Br)cc3)CCCCC2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 4/20 0.60
ESR2 Q92731 4/20 0.60
ALDH1A1 P00352 3/20 0.60
L3MBTL1 Q9Y468 1/20 0.60
MAPT P10636 2/20 0.43
HTT P42858 2/20 0.43
LMNA P02545 1/20 0.43
ALOX12 P18054 1/20 0.43
PSMB1 P20618 1/20 0.41
PSMB5 P28074 1/20 0.41
PSMB2 P49721 1/20 0.41
CYP2A6 P11509 1/20 0.40
ACHE P22303 1/20 0.39
HDAC1 Q13547 2/20 0.38
ADORA3 P0DMS8 1/20 0.37
MAPK1 P28482 1/20 0.35
MEN1 O00255 1/20 0.35
RECQL P46063 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 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
SCHEMBL14804301 1.00 ESR1 (0.60) ESR1ESR2ALDH1A1L3MBTL1MAPT
SCHEMBL14804300 0.97 ESR1 (0.58) ESR1ESR2ALDH1A1L3MBTL1MAPT
SCHEMBL14260454 0.89 ESR1 (0.80) ESR1ESR2ALDH1A1L3MBTL1MAPT
SCHEMBL11990211 0.89 ESR1 (0.50) ESR1ESR2ALDH1A1L3MBTL1
SCHEMBL12893215 0.84 SLC6A4 (0.50) ESR1ESR2ALDH1A1L3MBTL1MAPT
SCHEMBL12893216 0.80 PSMB1 (0.50) ESR1ESR2ALDH1A1L3MBTL1MAPT
SCHEMBL11152421 0.79 ESR1 (0.65) ESR1ESR2ALDH1A1L3MBTL1MAPT
SCHEMBL23198889 0.78 OPRM1 (0.52) ESR1ESR2ALDH1A1L3MBTL1LMNA
SCHEMBL14804313 0.78 OPRM1 (0.52) ESR1ESR2ALDH1A1L3MBTL1LMNA
SCHEMBL8237519 0.78 CYP2A6 (0.38) ESR1ESR2ALDH1A1L3MBTL1LMNA

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 13 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-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
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
US-20050158578-A1 Material for organic electroluminescent element and organic electroluminescent element employing the same IDEMITSU KOSAN CO., LTD. (JP) 2005-07-21 US disclosed
EP-1502936-A1 MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT AND ORGANIC ELECTROLUMINESCENT ELEMENT EMPLOYING THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2005-02-02 EP 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 (1 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-20050158578-A1 Material for organic electroluminescent element and organic electroluminescent element employing the same EML4, EED, EPCAM ESR1 420/4885ESR2 398/4885ALDH1A1 949/4885

“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.