SCHEMBL10100615

SCHEMBL10100615

SCC[n+]1ccc(/C=C/c2ccc(N3CCNCC3)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.44
ADRB1 P08588 7/20 0.42
HTR3E A5X5Y0 3/20 0.42
HTR3B O95264 3/20 0.42
HTR3A P46098 3/20 0.42
HTR3D Q70Z44 3/20 0.42
HTR3C Q8WXA8 3/20 0.42
SIGMAR1 Q99720 3/20 0.42
ADRB2 P07550 1/20 0.39
NCF1 P14598 1/20 0.39
PLD1 Q13393 1/20 0.39
LTA4H P09960 3/20 0.38
ALDH1A1 P00352 2/20 0.38
PTGS2 P35354 1/20 0.38
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.38
SIRT6 Q8N6T7 1/20 0.38
ABCB1 P08183 1/20 0.37
USP2 O75604 1/20 0.36
TSHR P16473 1/20 0.36

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
SCHEMBL560091 0.87 MAPT (0.48) ALDH1A1PTGS2KDM4E
SCHEMBL560092 0.87 MAPT (0.48) ALDH1A1PTGS2KDM4E
SCHEMBL2312822 0.84 MAOB (0.43) MAOBADRB1HTR3EHTR3BHTR3A
SCHEMBL2312826 0.84 MAOB (0.43) MAOBADRB1HTR3EHTR3BHTR3A
SCHEMBL29199476 0.83 MAOB (0.42) MAOBADRB1HTR3EHTR3BHTR3A
SCHEMBL29199479 0.83 MAOB (0.42) MAOBADRB1HTR3EHTR3BHTR3A
SCHEMBL3372750 0.81 ADRB1 (0.61) MAOBADRB1HTR3EHTR3BHTR3A
SCHEMBL560190 0.78 PTGS2 (0.43) ALDH1A1PTGS2KDM4E
SCHEMBL560191 0.78 PTGS2 (0.43) ALDH1A1PTGS2KDM4E
SCHEMBL559134 0.76 LMNA (0.42) MAOBADRB1HTR3EHTR3BHTR3A

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
US-20120031422-A9 FLUORESCENT ENTITY, DYEING COMPOSITION CONTAINING AT LEAST ONE FLUORESCENT ENTITY COMPRISING AT LEAST ONE HETEROCYCLE, WITH AT LEAST ONE INTERNAL CATIONIC CHARGE, AND METHOD FOR LIGHTENING KERATIN MATERIALS USING SAID AT LEAST ONE FLUORESCENT ENTITY L'OREAL S.A. (FR) 2012-02-09 US disclosed
EP-2004758-B1 DYEING COMPOSITION CONTAINING A THIOL/DISULPHIDE FLUORESCENT COLORANT COMPRISING A HETEROCYCLE, WITH AN INTERNAL CATIONIC CHARGE, AND METHOD FOR LIGHTENING KERATIN MATERIALS USING SAID COLORANT OREAL (FR) 2011-08-03 EP disclosed
US-20110011417-A1 DYE COMPOSITION CONTAINING A THIOL/DISULPHIDE FLUORESCENT DYE COMPRISING A HETEROCYCLE,AND COMPRISING AN INTERNAL CATIONIC CHARGE, PROCESS FOR LIGHTENING KERATIN MATERIALS USING THIS DYE L'OREAL S.A. (FR) 2011-01-20 US disclosed
WO-2007110539-A2 DYEING COMPOSITION CONTAINING A THIOL/DISULPHIDE FLUORESCENT COLORANT COMPRISING A HETEROCYCLE, WITH AN INTERNAL CATIONIC CHARGE, AND METHOD FOR LIGHTENING KERATIN MATERIALS USING SAID COLORANT L'ORÉAL (FR) 2007-10-04 WO 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-20120031422-A9 FLUORESCENT ENTITY, DYEING COMPOSITION CONTAINING AT LEAST ONE FLUORESCENT ENTITY COMPRISING AT LEAST ONE HETEROCYCLE, WITH AT LEAST ONE INTERNAL CATIONIC CHARGE, AND METHOD FOR LIGHTENING KERATIN MATERIALS USING SAID AT LEAST ONE FLUORESCENT ENTITY KRT18, KRTCAP2, DSG1 MAOB 4042/4885ADRB1 4799/4885HTR3E 3475/4885
US-20110011417-A1 DYE COMPOSITION CONTAINING A THIOL/DISULPHIDE FLUORESCENT DYE COMPRISING A HETEROCYCLE,AND COMPRISING AN INTERNAL CATIONIC CHARGE, PROCESS FOR LIGHTENING KERATIN MATERIALS USING THIS DYE KRT18, CYBA, KRTCAP2 MAOB 3971/4885ADRB1 4739/4885HTR3E 3314/4885

“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.