SCHEMBL2417023

SCHEMBL2417023

O=[N+]([O-])c1cccc(C(F)(F)F)c1NCC(O)CO

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
IDH2 P48735 3/20 0.39
P2RX1 P51575 2/20 0.36
ENPP2 Q13822 1/20 0.36
GLA P06280 2/20 0.36
CYP1A2 P05177 2/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2C19 P33261 2/20 0.36
CES2 O00748 1/20 0.36
ABCB11 O95342 1/20 0.36
LMNA P02545 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
AR P10275 1/20 0.36
CHRM1 P11229 1/20 0.36
CYP2C9 P11712 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
SCHEMBL3666022 0.86 GPR35 (0.43) ALDH1A1MEN1KMT2ATDP1GLA
SCHEMBL3038035 0.81 RAB9A (0.48) ALDH1A1MEN1KMT2AGAAMAPT
SCHEMBL4606975 0.80 MAPT (0.49) ALDH1A1MEN1KMT2AGAAMAPT
SCHEMBL9658215 0.77 MEN1 (0.48) ALDH1A1MEN1KMT2AGAAMAPT
SCHEMBL18528029 0.77 AR (0.55) ALDH1A1GLACYP1A2CYP3A4CYP2C19
SCHEMBL18528032 0.77 AR (0.55) ALDH1A1GLACYP1A2CYP3A4CYP2C19
SCHEMBL5878676 0.74 MEN1 (0.51) ALDH1A1MEN1KMT2AGAAMAPT
SCHEMBL31122003 0.73 ALDH1A1 (0.49) ALDH1A1MEN1KMT2AGAAMAPT
SCHEMBL17845330 0.73 ALDH1A1 (0.49) ALDH1A1MEN1KMT2AGAAMAPT
SCHEMBL28300945 0.73 ALDH1A1 (0.46) ALDH1A1MEN1KMT2AGAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1362576-B1 Non aerosol and aerosol hair mousse Wella GmbH (DE) 2011-09-14 EP disclosed
EP-1374837-B1 Aerosol foam for treating the hair WELLA AG (DE) 2006-03-01 EP disclosed
US-20050244353-A1 Method for achieving shape memory effects on hair by combining shape memory polymers with cationic active ingredients MNEMOSCIENCE GMBH (DE) 2005-11-03 US disclosed
EP-1492492-A1 METHOD FOR CREATING SHAPE MEMORY EFFECTS ON HAIR BY COMBINING SHAPE MEMORY POLYMERS WITH CATIONIC ACTIVE INGREDIENTS Mnemoscience GmbH (DE) 2005-01-05 EP disclosed
EP-0988020-B1 USE OF INORGANIC-ORGANIC HYBRID PREPOLYMERS WELLA AG (DE) 2004-02-18 EP disclosed
EP-1374837-A1 Aerosol foam for treating the hair Wella Aktiengesellschaft (DE) 2004-01-02 EP disclosed
EP-1362576-A2 Non aerosol and aerosol hair mousse Wella Aktiengesellschaft (DE) 2003-11-19 EP disclosed
WO-2003084489-A1 METHOD FOR CREATING SHAPE MEMORY EFFECTS ON HAIR BY COMBINING SHAPE MEMORY POLYMERS WITH CATIONIC ACTIVE INGREDIENTS MNEMOSCIENCE GMBH (DE) 2003-10-16 WO disclosed
EP-0988020-A2 USE OF INORGANIC-ORGANIC HYBRID PREPOLYMERS Wella Aktiengesellschaft (DE) 2000-03-29 EP disclosed
WO-1999033434-A2 USE OF INORGANIC-ORGANIC HYBRID PREPOLYMERS WELLA AKTIENGESELLSCHAFT (DE) 1999-07-08 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 (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-20050244353-A1 Method for achieving shape memory effects on hair by combining shape memory polymers with cationic active ingredients CD69, TES, BDNF ALDH1A1 4075/4885MEN1 1507/4885KMT2A 703/4885

“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.