SCHEMBL147156

SCHEMBL147156

O=[N+]([O-])c1[c]c(F)c(F)cc1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 2/20 0.39
ALDH1A1 P00352 2/20 0.39
VCAM1 P19320 1/20 0.37
ATM Q13315 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
CASP6 P55212 1/20 0.33
POLB P06746 1/20 0.32
TP53 P04637 1/20 0.31
CYP3A4 P08684 1/20 0.31
HPGD P15428 1/20 0.31
TSHR P16473 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HSPB1 P04792 1/20 0.31
VCP P55072 1/20 0.30
LMNA P02545 1/20 0.30

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
SCHEMBL6047877 0.81 ALDH1A1 (0.38) HIF1AALDH1A1VCAM1ATMTDP1
SCHEMBL27807540 0.79 TSHR (0.39) HIF1AALDH1A1TDP1TP53CYP3A4
SCHEMBL28616041 0.76 ALDH1A1 (0.35) HIF1AALDH1A1VCAM1ATMTDP1
SCHEMBL27841020 0.75 ALDH1A1 (0.34) HIF1AALDH1A1VCAM1ATMTDP1
SCHEMBL146415 0.72 ATM (0.35) HIF1AALDH1A1VCAM1ATMTDP1
SCHEMBL2350187 0.70 TSHR (0.38) HIF1AALDH1A1ATMTDP1TSHR
SCHEMBL58486 0.69 TSHR (0.46) ALDH1A1TDP1TSHRSMN1; SMN2LMNA
SCHEMBL4926477 0.67 KDM4E (0.34) ALDH1A1ATMTDP1CASP6POLB
SCHEMBL7513494 0.66 ALDH1A1 (0.48) HIF1AALDH1A1VCAM1ATMTDP1
SCHEMBL28195141 0.65 ATM (0.40) HIF1AALDH1A1VCAM1ATMTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2532663-B1 Naphthalenetetracarboxylic acid derivatives and their use as semiconductors BASF SE (DE) 2016-03-16 EP claimed
EP-2532663-A1 Naphthalenecarboxylic acid derivatives and their use as semiconductors BASF SE (DE) 2012-12-12 EP claimed
EP-1280753-A1 PROCESS FOR PREPARATION OF R-1-(ARYLOXY)PROPAN-2-OL Rhodia/Chirex, Inc. (US) 2003-02-05 EP claimed
US-6448449-B2 RING OPENING OF (R)-PROPYLENE OXIDE WITH ARYLTRIMETHYLSILYL ETHER IN THE PRESENCE OF AN OPTICALLY ACTIVE CATALYST; REACTING WITH AN ALCOHOL IN THE PRESENCE OF AN ACID; REACTING THE REGIOISOMERIC MIXTURE WITH A TRIARYLMETHYL HALILE; RHODIA CHIREX, INC. 2002-09-10 US claimed
US-20020007090-A1 Process for preparation of (R)-1- (aryloxy)propan-2-ol RHODIA CHIREX, INC. 2002-01-17 US claimed
WO-2001081286-A1 PROCESS FOR PREPARATION OF R-1-(ARYLOXY)PROPAN-2-OL RHODIA/CHIREX, INC. (US) 2001-11-01 WO claimed
US-20170174676-A1 CHLORINATED NAPTHALENETETRACARBOXYLIC ACID DERIVATIVES, PREPARATION THEREOF AND USE THEREOF IN ORGANIC ELECTRONICS BASF SE (DE) 2017-06-22 US disclosed
US-9583719-B2 Carbazolocarbazol-bis(dicarboximides) and their use as semiconductors BASF SE (DE) 2017-02-28 US disclosed
US-9512354-B2 Chlorinated naphthalenetetracarboxylic acid derivatives, preparation thereof and use thereof in organic electronics BASF SE (DE) 2016-12-06 US disclosed
US-9385326-B2 Triangulene oligomers and polymers and their use as hole conducting material BASF SE (DE) 2016-07-05 US disclosed
EP-2742112-B1 CARBAZOLOCARBAZOL-BIS(DICARBOXIMIDES) AND THEIR USE AS SEMICONDUCTORS BASF SE (DE) 2016-05-18 EP disclosed
EP-2532663-B1 Naphthalenetetracarboxylic acid derivatives and their use as semiconductors BASF SE (DE) 2016-03-16 EP disclosed
EP-2181172-B1 HALOGEN-CONTAINING PERYLENETETRACARBOXYLIC ACID DERIVATIVES AND THE USE THEREOF BASF SE (DE) 2016-02-24 EP disclosed
WO-2007074137-A1 NAPHTHALENETETRACARBOXYLIC ACID DERIVATIVES AND THEIR USE AS SEMICONDUCTORS BASF SE (DE) 2007-07-05 WO disclosed
EP-1719770-A2 Quinoline derivatives as antibacterials SMITHKLINE BEECHAM PLC (GB) 2006-11-08 EP disclosed
EP-1320529-B1 QUINOLINE DERIVATIVES AS ANTIBACTERIALS SMITHKLINE BEECHAM PLC (GB) 2006-05-24 EP disclosed
EP-1280753-A1 PROCESS FOR PREPARATION OF R-1-(ARYLOXY)PROPAN-2-OL Rhodia/Chirex, Inc. (US) 2003-02-05 EP disclosed
US-6448449-B2 RING OPENING OF (R)-PROPYLENE OXIDE WITH ARYLTRIMETHYLSILYL ETHER IN THE PRESENCE OF AN OPTICALLY ACTIVE CATALYST; REACTING WITH AN ALCOHOL IN THE PRESENCE OF AN ACID; REACTING THE REGIOISOMERIC MIXTURE WITH A TRIARYLMETHYL HALILE; RHODIA CHIREX, INC. 2002-09-10 US disclosed
US-20020007090-A1 Process for preparation of (R)-1- (aryloxy)propan-2-ol RHODIA CHIREX, INC. 2002-01-17 US disclosed
WO-2001081286-A1 PROCESS FOR PREPARATION OF R-1-(ARYLOXY)PROPAN-2-OL RHODIA/CHIREX, INC. (US) 2001-11-01 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-20020007090-A1 Process for preparation of (R)-1- (aryloxy)propan-2-ol TOP1, POLN, RIF1 HIF1A 4306/4885ALDH1A1 180/4885VCAM1 341/4885
US-20170174676-A1 CHLORINATED NAPTHALENETETRACARBOXYLIC ACID DERIVATIVES, PREPARATION THEREOF AND USE THEREOF IN ORGANIC ELECTRONICS SLCO2A1, SLCO2B1, SLC43A3 HIF1A 4066/4885ALDH1A1 1455/4885VCAM1 3738/4885

“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.