SCHEMBL185207

SCHEMBL185207

O=C(O)c1c[c]c(F)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.48
TP53 P04637 1/20 0.48
BCL2L1 Q07817 1/20 0.45
BAD Q92934 1/20 0.45
SRD5A2 P31213 3/20 0.42
CA1 P00915 3/20 0.41
CA2 P00918 3/20 0.41
CA12 O43570 2/20 0.41
CA4 P22748 2/20 0.41
CA6 P23280 2/20 0.41
CA7 P43166 2/20 0.41
CA9 Q16790 2/20 0.41
CA14 Q9ULX7 2/20 0.41
CA3 P07451 1/20 0.41
TYR P14679 1/20 0.41
DRD1 P21728 1/20 0.41
CA5A P35218 1/20 0.41
CA5B Q9Y2D0 1/20 0.41
TTR P02766 1/20 0.39
ALOX15 P16050 1/20 0.39

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
SCHEMBL1206454 0.80 KMT2A (0.45) ALDH1A1SMN1; SMN2LMNAMAPK1RAB9A
SCHEMBL9901869 0.80 PARP1 (0.41) TSHRCA1CA2ALDH1A1SMN1; SMN2
SCHEMBL578580 0.76 TSHR (0.52) TSHRTP53BCL2L1BADSRD5A2
SCHEMBL2780243 0.74 TSHR (0.50) TSHRTP53BCL2L1BADSRD5A2
SCHEMBL1869090 0.73 ALDH1A1 (0.50) TSHRTP53SRD5A2CA1CA2
SCHEMBL4957915 0.73 TSHR (0.48) TSHRTP53BCL2L1BADSRD5A2
SCHEMBL6631569 0.73 TSHR (0.48) TSHRTP53SRD5A2CA1CA2
Terephthalic Acid SCHEMBL175823 0.68 TSHR (1.00) TSHRTP53BCL2L1BADSRD5A2
Terephthalic Acid SCHEMBL1655 0.68 TSHR (1.00) TSHRTP53BCL2L1BADSRD5A2
Terephthalic Acid SCHEMBL5053781 0.68 TSHR (1.00) TSHRTP53BCL2L1BADSRD5A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101611019-A The big ring serum prothrombin conversion accelerator (SPCA) a inhibitor that can be used as anticoagulant BRISTOL MYERS SQUIBB CO (US) 2009-12-23 CN 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-9512354-B2 Chlorinated naphthalenetetracarboxylic acid derivatives, preparation thereof and use thereof in organic electronics BASF SE (DE) 2016-12-06 US disclosed
EP-2181172-B1 HALOGEN-CONTAINING PERYLENETETRACARBOXYLIC ACID DERIVATIVES AND THE USE THEREOF BASF SE (DE) 2016-02-24 EP disclosed
US-20140155603-A1 HALOGEN-CONTAINING PERYLENETETRACARBOXYLIC ACID DERIVATIVES AND THE USE THEREOF BASF SE (DE) 2014-06-05 US disclosed
US-8674104-B2 Halogen-containing perylenetetracarboxylic acid derivatives and the use thereof BASF SE (DE) 2014-03-18 US disclosed
US-8592806-B2 Quinone compounds as dopants in organic electronics NOVALED AG (DE) 2013-11-26 US disclosed
EP-2401254-B1 QUINONE COMPOUNDS AS DOPANTS IN ORGANIC ELECTRONICS NOVALED AG (DE) 2013-06-19 EP disclosed
US-20130123495-A1 HALOGEN-CONTAINING PERYLENETETRACARBOXYLIC ACID DERIVATIVES AND THE USE THEREOF CLAP CO., LTD. (KR) 2013-05-16 US disclosed
US-20120217483-A1 Quinone Compounds as Dopants in Organic Electronics NOVALED AG (DE) 2012-08-30 US disclosed
US-20110068328-A1 HALOGEN-CONTAINING PERYLENETETRACARBOXYLIC ACID DERIVATIVES AND THE USE THEREOF BASF SE (DE) 2011-03-24 US disclosed
EP-2297274-A1 CHLORINATED NAPHTHALENETETRACARBOXYLIC ACID DERIVATIVES, PREPARATION THEREOF AND USE THEREOF IN ORGANIC ELECTRONICS BASF SE (DE) 2011-03-23 EP disclosed
WO-2010097433-A1 QUINONE COMPOUNDS AS DOPANTS IN ORGANIC ELECTRONICS BASF SE (DE) 2010-09-02 WO disclosed
CN-101809116-A Halogen-containing perylene tetracarboxylic acid derivatives and uses thereof BASF SE 2010-08-18 CN disclosed
EP-2181172-A1 HALOGEN-CONTAINING PERYLENETETRACARBOXYLIC ACID DERIVATIVES AND THE USE THEREOF BASF SE (DE) 2010-05-05 EP disclosed
CN-101611019-A The big ring serum prothrombin conversion accelerator (SPCA) a inhibitor that can be used as anticoagulant BRISTOL MYERS SQUIBB CO (US) 2009-12-23 CN disclosed
WO-2009147237-A1 CHLORINATED NAPHTHALENETETRACARBOXYLIC ACID DERIVATIVES, PREPARATION THEREOF AND USE THEREOF IN ORGANIC ELECTRONICS BASF SE (DE) 2009-12-10 WO disclosed
US-20090301552-A1 CHLORINATED NAPHTHALENETETRACARBOXYLIC ACID DERIVATIVES, PREPARATION THEREOF AND USE THEREOF IN ORGANIC ELECTRONICS BASF SE (DE) 2009-12-10 US disclosed
WO-2009024512-A1 HALOGEN-CONTAINING PERYLENETETRACARBOXYLIC ACID DERIVATIVES AND THE USE THEREOF BASF SE (DE) 2009-02-26 WO disclosed
WO-2009000831-A1 BROMINE-SUBSTITUTED RYLENE TETRACARBOXYLIC ACID DERIVATIVES, AND THE USE THEREOF BASF SE (DE) 2008-12-31 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 (4 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-20120217483-A1 Quinone Compounds as Dopants in Organic Electronics NQO1, DDT, COMT TSHR 4760/4885TP53 1856/4885BCL2L1 4046/4885
US-20090301552-A1 CHLORINATED NAPHTHALENETETRACARBOXYLIC ACID DERIVATIVES, PREPARATION THEREOF AND USE THEREOF IN ORGANIC ELECTRONICS SLCO2A1, SLCO4C1, SLCO2B1 TSHR 1100/4885TP53 585/4885BCL2L1 3612/4885
US-20110068328-A1 HALOGEN-CONTAINING PERYLENETETRACARBOXYLIC ACID DERIVATIVES AND THE USE THEREOF NR0B1, NR0B2, RXRB TSHR 357/4885TP53 3727/4885BCL2L1 2578/4885
US-20170174676-A1 CHLORINATED NAPTHALENETETRACARBOXYLIC ACID DERIVATIVES, PREPARATION THEREOF AND USE THEREOF IN ORGANIC ELECTRONICS SLCO2A1, SLCO2B1, SLC43A3 TSHR 1739/4885TP53 1826/4885BCL2L1 4194/4885

“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.