SCHEMBL3410445

SCHEMBL3410445

COc1c(Br)c2c3c(ccc4c5c(Br)cc6c7c(cc(OC)c(c1c34)c75)-c1ccccc1C6=O)C(=O)c1ccccc1-2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MAPK1 P28482 3/20 0.36
CYP1A2 P05177 1/20 0.36
GNG2 P59768 1/20 0.36
GNB1 P62873 1/20 0.36
HIF1A Q16665 1/20 0.36
MAPT P10636 7/20 0.34
KMT2A Q03164 6/20 0.34
MEN1 O00255 5/20 0.34
PTPRC P08575 1/20 0.34
PTPN1 P18031 1/20 0.34
ALDH1A1 P00352 3/20 0.34
TDP1 Q9NUW8 3/20 0.34
KDM4E B2RXH2 1/20 0.34
USP2 O75604 1/20 0.34
DUSP3 P51452 1/20 0.34
CRHBP P24387 1/20 0.33
CRHR2 Q13324 1/20 0.33

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
SCHEMBL29393625 1.00 NPC1 (0.40) NPC1RAB9ASMN1; SMN2MAPK1CYP1A2
SCHEMBL29378901 0.78 CYP1A2 (0.50) NPC1RAB9ASMN1; SMN2MAPK1CYP1A2
SCHEMBL30606662 0.78 CYP1A2 (0.50) NPC1RAB9ASMN1; SMN2MAPK1CYP1A2
SCHEMBL3408840 0.78 CYP1A2 (0.50) NPC1RAB9ASMN1; SMN2MAPK1CYP1A2
SCHEMBL31120783 0.78 PTPRC (0.49) NPC1RAB9ASMN1; SMN2MAPK1CYP1A2
SCHEMBL9012650 0.78 PTPRC (0.49) NPC1RAB9ASMN1; SMN2MAPK1CYP1A2
SCHEMBL21110889 0.77 MAPK1 (0.50) NPC1RAB9ASMN1; SMN2MAPK1CYP1A2
SCHEMBL12126994 0.73 MAPT (0.46) NPC1RAB9ASMN1; SMN2MAPK1CYP1A2
SCHEMBL27636780 0.72 MAPK1 (0.54) NPC1RAB9ASMN1; SMN2MAPK1CYP1A2
SCHEMBL29646579 0.70 BCL2 (0.56) NPC1RAB9ASMN1; SMN2MAPK1CYP1A2

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230310300-A1 HAIR COLOURING COMPOSITIONS COMPRISING A BIO-BASED POLYMER AND A CROSSLINKER HFC PRESTIGE SERVICE GERMINY GMBH (DE) 2023-10-05 US disclosed
EP-4171500-A1 HAIR COLOURING COMPOSITIONS COMPRISING A BIO-BASED POLYMER AND A CROSSLINKER Wella Germany GmbH (DE) 2023-05-03 EP disclosed
US-11324688-B2 Bicomponent composition WELLA INTERNATIONAL OPERATIONS SWI (CH) 2022-05-10 US disclosed
US-20220054392-A1 MULTICOMPONENT IN SITU COLORATION COMPOSITION WELLA INTERNATIONAL OPERATIONS SWITZERLAND SÀRL (CH) 2022-02-24 US disclosed
US-20220016017-A1 COLOR COATINGS WITH DOWNSTREAM FEATURES HFC PRESTIGE SERVICE GERMANY GMBH (DE) 2022-01-20 US disclosed
WO-2022002983-A1 HAIR COLOURING COMPOSITIONS COMPRISING A BIO-BASED POLYMER AND A CROSSLINKER HFC PRESTIGE SERVICE GERMANY GMBH (DE) 2022-01-06 WO disclosed
EP-3890683-A1 MULTICOMPONENT IN SITU COLORATION COMPOSITION HFC Prestige International Holding Switzerland S.a.r.l. (CH) 2021-10-13 EP disclosed
US-20210290518-A1 MULTICOMPONENT COMPOSITION HFC PRESTIGE INTERNATIONAL OPERATIONS SWITZERLAND SARL (CH) 2021-09-23 US disclosed
US-20210290519-A1 MULTICOMPONENT SILICONE COMPOSITION WELLA INT OPERATIONS SWITZERLAND SARL (CH) 2021-09-23 US disclosed
US-20210145726-A1 BICOMPONENT COMPOSITION HFC PRESTIGE INTERNATIONAL OPERATIONS SWITZERLAND SÀRL (CH) 2021-05-20 US disclosed
EP-3773922-A1 BICOMPONENT COMPOSITION HFC Prestige International Holding Switzerland S.a.r.l. (CH) 2021-02-17 EP disclosed
WO-2020114647-A1 MULTICOMPONENT IN SITU COLORATION COMPOSITION HFC PRESTIGE INTERNATIONAL HOLDING SWITZERLAND S.A.R.L (CH) 2020-06-11 WO disclosed
WO-2020007511-A1 MULTICOMPONENT SILICONE COMPOSITION HFC PRESTIGE INTERNATIONAL HOLDING SWITZERLAND S.A.R.L (CH) 2020-01-09 WO disclosed
WO-2020007510-A1 MULTICOMPONENT PUR COMPOSITION HFC PRESTIGE INTERNATIONAL HOLDING SWITZERLAND S.A.R.L (CH) 2020-01-09 WO disclosed
WO-2019192916-A1 BICOMPONENT COMPOSITION HFC PRESTIGE INTERNATIONAL HOLDING SWITZERLAND S.A.R.L (CH) 2019-10-10 WO disclosed
EP-2150333-B1 GRAFT COPOLYMER AND COMPOSITIONS THEREOF LUBRIZOL LTD (GB) 2014-08-06 EP disclosed
US-8268925-B2 Graft copolymer and compositions thereof LUBRIZOL LIMITED (GB) 2012-09-18 US disclosed
US-20100152339-A1 Graft Copolymer And Compositions Thereof LUBRIZOL LIMITED (GB) 2010-06-17 US disclosed
EP-2150333-A1 GRAFT COPOLYMER AND COMPOSITIONS THEREOF Lubrizol Limited (GB) 2010-02-10 EP disclosed
WO-2008145613-A1 GRAFT COPOLYMER AND COMPOSITIONS THEREOF LUBRIZOL LIMITED (GB) 2008-12-04 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 (7 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-20220016017-A1 COLOR COATINGS WITH DOWNSTREAM FEATURES KRT18, ITGA5, FLNA NPC1 4829/4885RAB9A 459/4885SMN1; SMN2 3324/4885
US-20230310300-A1 HAIR COLOURING COMPOSITIONS COMPRISING A BIO-BASED POLYMER AND A CROSSLINKER KRT18, MKI67, IK NPC1 4878/4885RAB9A 3157/4885SMN1; SMN2 4453/4885
US-20210290519-A1 MULTICOMPONENT SILICONE COMPOSITION CUTA, CD99, PLOD3 NPC1 4575/4885RAB9A 2290/4885SMN1; SMN2 512/4885
US-20220054392-A1 MULTICOMPONENT IN SITU COLORATION COMPOSITION KRT18, PRKDC, VIM NPC1 4625/4885RAB9A 4551/4885SMN1; SMN2 4048/4885
US-11324688-B2 Bicomponent composition KRT18, EXOSC10, EXOSC9 NPC1 4580/4885RAB9A 3238/4885SMN1; SMN2 3760/4885
US-20210290518-A1 MULTICOMPONENT COMPOSITION KRT18, INCENP, IK NPC1 4839/4885RAB9A 1701/4885SMN1; SMN2 2704/4885
US-20210145726-A1 BICOMPONENT COMPOSITION KRT18, EXOSC10, EXOSC9 NPC1 4580/4885RAB9A 3238/4885SMN1; SMN2 3760/4885

“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.