SCHEMBL5159996

SCHEMBL5159996

OOc1ccccc1C1CCCCCCCCCCC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 2/20 0.58
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
HTR1A P08908 4/20 0.46
SLC6A2 P23975 4/20 0.46
SLC6A4 P31645 4/20 0.46
SLC6A3 Q01959 3/20 0.46
HTR1D P28221 2/20 0.45
HTR1B P28222 2/20 0.45
ADRA2A P08913 3/20 0.44
HTR2C P28335 2/20 0.44
ADRA2B P18089 2/20 0.44
ADRA2C P18825 2/20 0.44
USP2 O75604 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
CHRM1 P11229 1/20 0.44
CYP2C9 P11712 1/20 0.44
DRD1 P21728 1/20 0.44
TBXA2R P21731 1/20 0.44

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
SCHEMBL42935 1.00 PTGDR2 (0.58) PTGDR2MEN1KMT2AHTR1ASLC6A2
SCHEMBL2352902 1.00 PTGDR2 (0.58) PTGDR2MEN1KMT2AHTR1ASLC6A2
SCHEMBL2352942 0.98 PTGDR2 (0.56) PTGDR2MEN1KMT2AHTR1ASLC6A2
SCHEMBL9997758 0.91 PTGDR2 (0.55) PTGDR2MEN1KMT2AHTR1ASLC6A2
Isopropylbenzene SCHEMBL11315929 0.86 PTGDR2 (0.50) PTGDR2MEN1KMT2AHTR1ASLC6A2
SCHEMBL2399633 0.83 PTGDR2 (0.57) PTGDR2MEN1KMT2AHTR1ASLC6A2
SCHEMBL3679820 0.83 PTGDR2 (0.46) PTGDR2MEN1KMT2AHTR1ASLC6A2
SCHEMBL7180838 0.82 PTGDR2 (0.47) PTGDR2MEN1KMT2AHTR1ASLC6A2
SCHEMBL7598684 0.81 HTR1A (0.70) PTGDR2MEN1KMT2AHTR1ASLC6A2
SCHEMBL4736528 0.80 HTR2C (0.68) PTGDR2MEN1KMT2AHTR1DHTR1B

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
EP-1268417-B1 METHOD FOR PRODUCING AROMATIC ALCOHOLS, ESPECIALLY PHENOL DEGUSSA (DE) 2007-03-21 EP disclosed
US-7145041-B2 Method for producing saturated alcohols, ketones, aldehydes and carboxylic acids DEGUSSA AG (DE) 2006-12-05 US disclosed
EP-1401797-B1 METHOD FOR PRODUCING SATURATED ALCOHOLS, KETONES, ALDEHYDES AND CARBOXYLIC ACIDS DEGUSSA (DE) 2006-08-09 EP disclosed
US-6852893-B2 Method for oxidizing hydrocarbons CREAVIS GESELLSCHAFT FUER TECHNOLOGIE AND INNOVATION MBH (DE) 2005-02-08 US disclosed
US-20040249197-A1 Method for producing saturated alcohols, ketones, aldehydes and carboxylic acids DEGUSSA AG (DE) 2004-12-09 US disclosed
EP-1268367-B1 METHOD FOR OXIDIZING HYDROCARBONS DEGUSSA (DE) 2004-07-21 EP disclosed
US-6720462-B2 VIA CATALYTIC OXIDATION OF AROMATIC HYDROCARBON TO HYDROPEROXIDE WHICH IS CLEAVED TO FORM PHENOL DERVIVATIVE AND KETONE DEGUSSA AG (DE) 2004-04-13 US disclosed
EP-1401797-A2 METHOD FOR PRODUCING SATURATED ALCOHOLS, KETONES, ALDEHYDES AND CARBOXYLIC ACIDS Degussa AG (DE) 2004-03-31 EP disclosed
US-20030176733-A1 Method for oxidizing hydrocarbons CREAVIS GESELLSCHAFT FUER TECHNOLOGIE UND INNOVATION MBH (DE) 2003-09-18 US disclosed
CN-1420855-A Process for oxidizing hydrocarbons CREAVIS TECH & INNOVATION GMBH (DE) 2003-05-28 CN disclosed
US-20030083527-A1 Method for producing aromatic alcohols, especially phenol CREAVIS GESELLSCHAFT FUER TECHNOLOGY UND INNOVATION MBH (DE) 2003-05-01 US disclosed
WO-2003014074-A1 PRODUCTION OF PEROXIDES OF ETHYLBENZOLE AND USE THEREOF CREAVIS GESELLSCHAFT FÜR TECHNOLOGIE UND INNOVATION MBH (DE) 2003-02-20 WO disclosed
WO-2003004447-A2 METHOD FOR PRODUCING SATURATED ALCOHOLS, KETONES, ALDEHYDES AND CARBOXYLIC ACIDS DEGUSSA AG (DE) 2003-01-16 WO disclosed
EP-1268367-A2 METHOD FOR OXIDIZING HYDROCARBONS Creavis Gesellschaft für Technologie und Innovation mbH (DE) 2003-01-02 EP disclosed
EP-1268417-A1 METHOD FOR PRODUCING AROMATIC ALCOHOLS, ESPECIALLY PHENOL Degussa AG (DE) 2003-01-02 EP disclosed
WO-2002102742-A2 METHOD FOR THE CATALYTIC OXIDATIVE SEPARATION OF CYCLIC SATURATED AND UNSATURATED COMPOUNDS CREAVIS GESELLSCHAFT FÜR TECHNOLOGIE UND INNOVATION MBH (DE) 2002-12-27 WO disclosed
WO-2001074767-A1 METHOD FOR PRODUCING AROMATIC ALCOHOLS, ESPECIALLY PHENOL DEGUSSA AG (DE) 2001-10-11 WO disclosed
WO-2001074742-A2 METHOD FOR OXIDIZING HYDROCARBONS DEGUSSA AG (DE) 2001-10-11 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 (3 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-20030176733-A1 Method for oxidizing hydrocarbons CBR1, CBR3, SCO2 PTGDR2 2775/4885MEN1 2618/4885KMT2A 1206/4885
US-20030083527-A1 Method for producing aromatic alcohols, especially phenol CYP2E1, AOC2, ADH1C PTGDR2 2155/4885MEN1 3385/4885KMT2A 1143/4885
US-20040249197-A1 Method for producing saturated alcohols, ketones, aldehydes and carboxylic acids CBR1, CYP2E1, AOX1 PTGDR2 1969/4885MEN1 2763/4885KMT2A 1635/4885

“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.