SCHEMBL698588

SCHEMBL698588

OCc1ccccc1CCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.54
TSHR P16473 1/20 0.52
HTR1A P08908 1/20 0.48
DRD2 P14416 1/20 0.48
ALDH1A1 P00352 4/20 0.47
HPGD P15428 4/20 0.47
KDM4E B2RXH2 3/20 0.47
HSD17B10 Q99714 2/20 0.47
ADRB2 P07550 1/20 0.46
FFAR1 O14842 1/20 0.45
MAOA P21397 2/20 0.44
MAOB P27338 2/20 0.44
LMNA P02545 2/20 0.44
GAA P10253 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
ALOX15 P16050 1/20 0.44
ALOX12 P18054 1/20 0.44
CASP1 P29466 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HTR2A P28223 1/20 0.43

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
SCHEMBL55137 0.87 HTR1A (0.58) TDP1HTR1ADRD2ALDH1A1HPGD
SCHEMBL24244161 0.86 TDP1 (0.68) TDP1TSHRHTR1ADRD2ALDH1A1
SCHEMBL16499740 0.84 TDP1 (0.65) TDP1TSHRHTR1ADRD2ALDH1A1
SCHEMBL11782450 0.83 TAAR1 (0.43) TDP1ADRB2FFAR1L3MBTL1HTR2A
SCHEMBL987688 0.81 MPO (0.60) TDP1TSHRHTR1ADRD2KDM4E
Potassium SCHEMBL30848210 0.79 MPO (0.58) TDP1TSHRHTR1ADRD2KDM4E
SCHEMBL30468688 0.79 MPO (0.58) TDP1TSHRHTR1ADRD2KDM4E
Water SCHEMBL27860759 0.79 MPO (0.58) TDP1TSHRHTR1ADRD2KDM4E
Hydrogen Peroxide SCHEMBL10839871 0.79 TDP1 (0.71) TDP1TSHRALDH1A1HPGDHSD17B10
SCHEMBL41139 0.79 APOBEC3G (0.60) TDP1TSHRALDH1A1HPGDMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6989052-B1 Phase change ink printing process XEROX CORPORATION (US) 2006-01-24 US claimed
US-20060004123-A1 PHASE CHANGE INK PRINTING PROCESS XEROX CORPORATION 2006-01-05 US claimed
WO-2004111092-A1 MODIFIED ALGINIC ACID OR ALGINIC ACID DERIVATIVES AND THERMOSETTING ANTI-REFLECTIVE COMPOSITIONS THEREOF AZ ELECTRONIC MATERIALS USA CORP. (US) 2004-12-23 WO claimed
US-20040253532-A1 Modified alginic acid of alginic acid derivatives and thermosetting anti-reflective compositions thereof MERCK PATENT GMBH (DE) 2004-12-16 US claimed
US-6319310-B1 FOR ACOUSTIC INK JET PRINTING; TRANSPARENCY, GLOSS, CREASE RESISTANCE XEROX CORPORATION 2001-11-20 US claimed
EP-0674232-B1 Recording sheets XEROX CORP (US) 2000-05-31 EP claimed
US-5663022-A Recording sheets XEROX CORPORATION (US) 1997-09-02 US claimed
EP-0674232-A2 Recording sheets XEROX CORPORATION (US) 1995-09-27 EP claimed
EP-2423199-A1 Substituted imidazoles and their use as pesticides Pfizer Limited (GB) 2012-02-29 EP disclosed
WO-2011023795-A1 (THIO)MORPHOLINE DERIVATIVES AS S1P MODULATORS ABBOTT HEALTHCARE PRODUCTS B.V. (NL) 2011-03-03 WO disclosed
US-7825149-B2 Substituted imidazoles PFIZER LIMITED (GB) 2010-11-02 US disclosed
EP-1335907-B1 PIPERAZINYLPYRAZINE COMPOUNDS AS AGONIST OR ANTAGONIST OF SEROTONIN 5HT-2 RECEPTOR BIOVITRUM AB PUBL (SE) 2010-06-09 EP disclosed
US-20090312326-A1 SUBSTITUTED IMIDAZOLES PFIZER LIMITED (GB) 2009-12-17 US disclosed
US-7592362-B2 Substituted imidazoles PFIZER LIMITED (GB) 2009-09-22 US disclosed
US-5683618-A MIXTURES OF ESTERS, KETONES OR NITRILES FOR LUBRICANTS FOR STABILITY ALBEMARLE CORPORATION (US) 1997-11-04 US disclosed
EP-0752421-A1 Ortho-substituted aromatic compounds, containing three (het)aryl moieties, their preparation and their use as prostaglandin E2-(PGE2)-antagonists ZENECA LIMITED (GB) 1997-01-08 EP disclosed
EP-0677517-A1 Treatment of Alzheimer's disease employing inhibitors of cathepsin D ELI LILLY AND COMPANY (US) 1995-10-18 EP disclosed
US-5430177-A Polyfunctional Michael addition products ALBEMARLE CORPORATION (US) 1995-07-04 US disclosed
EP-0618956-A1 POLYFUNCTIONAL MICHAEL ADDITION PRODUCTS AND REFRIGERATION COMPOSITIONS CONTAINING SUCH PRODUCTS ALBEMARLE CORPORATION (US) 1994-10-12 EP disclosed
WO-1993013188-A1 POLYFUNCTIONAL MICHAEL ADDITION PRODUCTS AND REFRIGERATION COMPOSITIONS CONTAINING SUCH PRODUCTS ETHYL CORPORATION (US) 1993-07-08 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-20090312326-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 TDP1 2820/4885TSHR 3443/4885HTR1A 1832/4885

“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.