SCHEMBL21436655

SCHEMBL21436655

O=C1C=Cc2ccccc2/C1=N\Nc1ccc(S(=O)(=O)[O-])cc1.O=C1C=Cc2ccccc2/C1=N\Nc1ccc(S(=O)(=O)[O-])cc1.O=C1C=Cc2ccccc2/C1=N\Nc1ccc(S(=O)(=O)[O-])cc1.[Al+3]

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.41
MAPT P10636 6/20 0.41
MEN1 O00255 6/20 0.41
KMT2A Q03164 6/20 0.41
POLB P06746 4/20 0.41
LMNA P02545 3/20 0.41
PTPN1 P18031 2/20 0.41
KDM4E B2RXH2 2/20 0.41
HPGD P15428 2/20 0.41
PTPRC P08575 2/20 0.41
IDO1 P14902 2/20 0.41
BCHE P06276 1/20 0.41
THRB P10828 1/20 0.41
PKM P14618 1/20 0.41
ALOX15 P16050 1/20 0.41
ACHE P22303 1/20 0.41
CES1 P23141 1/20 0.41
RECQL P46063 1/20 0.41
HSD17B10 Q99714 1/20 0.41
PTPN22 Q9Y2R2 1/20 0.41

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
SCHEMBL21055662 0.97 ALDH1A1 (0.41) ALDH1A1MAPTMEN1KMT2APOLB
SCHEMBL21436238 0.97 ALDH1A1 (0.41) ALDH1A1MAPTMEN1KMT2APOLB
SCHEMBL17460446 0.87 MEN1 (0.41) ALDH1A1MAPTMEN1KMT2APOLB
SCHEMBL17460447 0.87 MEN1 (0.41) ALDH1A1MAPTMEN1KMT2APOLB
SCHEMBL10053808 0.87 MEN1 (0.41) ALDH1A1MAPTMEN1KMT2APOLB
SCHEMBL15740338 0.87 EIF2AK2 (0.49) ALDH1A1MAPTMEN1KMT2APOLB
SCHEMBL340828 0.84 EIF2AK2 (0.35) ALDH1A1MAPTLMNAPTPRCGAA
SCHEMBL333149 0.83 ALDH1A1 (0.49) ALDH1A1MAPTMEN1KMT2APOLB
SCHEMBL11876532 0.83 ALDH1A1 (0.49) ALDH1A1MAPTMEN1KMT2APOLB
SCHEMBL11876526 0.83 ALDH1A1 (0.49) ALDH1A1MAPTMEN1KMT2APOLB

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 18 patents. 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-20210290519-A1 MULTICOMPONENT SILICONE COMPOSITION WELLA INT OPERATIONS SWITZERLAND SARL (CH) 2021-09-23 US disclosed
US-20210290518-A1 MULTICOMPONENT COMPOSITION HFC PRESTIGE INTERNATIONAL 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-3817710-A1 MULTICOMPONENT SILICONE COMPOSITION HFC Prestige International Holding Switzerland S.a.r.l. (CH) 2021-05-12 EP disclosed
EP-3817825-A1 MULTICOMPONENT PUR COMPOSITION HFC Prestige International Holding Switzerland S.a.r.l. (CH) 2021-05-12 EP disclosed
EP-3787753-A1 MULTICOMPONENT COMPOSITION HFC Prestige International Holding Switzerland S.a.r.l. (CH) 2021-03-10 EP 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-2020007510-A1 MULTICOMPONENT PUR COMPOSITION HFC PRESTIGE INTERNATIONAL HOLDING SWITZERLAND S.A.R.L (CH) 2020-01-09 WO disclosed
WO-2020007511-A1 MULTICOMPONENT SILICONE 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

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 ALDH1A1 4045/4885MAPT 360/4885MEN1 2431/4885
US-20230310300-A1 HAIR COLOURING COMPOSITIONS COMPRISING A BIO-BASED POLYMER AND A CROSSLINKER KRT18, MKI67, IK ALDH1A1 1521/4885MAPT 621/4885MEN1 811/4885
US-20210290519-A1 MULTICOMPONENT SILICONE COMPOSITION CUTA, CD99, PLOD3 ALDH1A1 1760/4885MAPT 2078/4885MEN1 10/4885
US-20220054392-A1 MULTICOMPONENT IN SITU COLORATION COMPOSITION KRT18, PRKDC, VIM ALDH1A1 2062/4885MAPT 817/4885MEN1 1309/4885
US-11324688-B2 Bicomponent composition KRT18, EXOSC10, EXOSC9 ALDH1A1 3152/4885MAPT 1247/4885MEN1 1869/4885
US-20210290518-A1 MULTICOMPONENT COMPOSITION KRT18, INCENP, IK ALDH1A1 2743/4885MAPT 1146/4885MEN1 585/4885
US-20210145726-A1 BICOMPONENT COMPOSITION KRT18, EXOSC10, EXOSC9 ALDH1A1 3152/4885MAPT 1247/4885MEN1 1869/4885

“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.