SCHEMBL771906

SCHEMBL771906

Oc1cccc2cc(I)ccc12

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PLAU P00749 1/20 0.59
HSD17B1 P14061 11/20 0.55
HSD17B2 P37059 11/20 0.55
ESR1 P03372 3/20 0.55
ESR2 Q92731 3/20 0.55
CYP1A2 P05177 1/20 0.54
GRIN2D O15399 1/20 0.44
GRIN2A Q12879 1/20 0.44
GRIN2B Q13224 1/20 0.44
GRIN2C Q14957 1/20 0.44
KDM4E B2RXH2 1/20 0.44
MAPKAPK2 P49137 1/20 0.44
CTDSP1 Q9GZU7 1/20 0.44
NQO2 P16083 1/20 0.43
IDO1 P14902 1/20 0.41
TDO2 P48775 1/20 0.41

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
Parachlorophenol SCHEMBL5534621 0.86 HSD17B1 (0.56) PLAUHSD17B1HSD17B2ESR1ESR2
1-Naphthol SCHEMBL8941393 0.86 CYP1A2 (0.65) PLAUHSD17B1HSD17B2ESR1ESR2
SCHEMBL4960387 0.83 CTDSP1 (0.59) PLAUHSD17B1HSD17B2ESR1ESR2
SCHEMBL29364213 0.77 HSD17B1 (0.70) PLAUHSD17B1HSD17B2ESR1ESR2
SCHEMBL444105 0.77 HSD17B1 (0.84) PLAUHSD17B1HSD17B2ESR1ESR2
SCHEMBL29738652 0.77 HSD17B1 (0.70) PLAUHSD17B1HSD17B2ESR1ESR2
SCHEMBL15451 0.77 HSD17B1 (0.70) PLAUHSD17B1HSD17B2ESR1ESR2
SCHEMBL6561370 0.77 CYP1A2 (0.35) PLAUHSD17B1HSD17B2ESR1ESR2
SCHEMBL2115683 0.76 CYP1A2 (0.62) PLAUHSD17B1HSD17B2ESR1ESR2
SCHEMBL29857010 0.76 CYP1A2 (0.62) PLAUHSD17B1HSD17B2ESR1ESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7211414-B2 Enzymatic nucleic acid synthesis: compositions and methods for altering monomer incorporation fidelity VISIGEN BIOTECHNOLOGIES, INC. (US) 2007-05-01 US claimed
EP-0416038-A4 NOVEL CHEMILUMINESCENT FUSED POLYCYCLIC RING-CONTAINING 1,2-DIOXETANES AND ASSAYS IN WHICH THEY ARE USED 1992-02-26 EP claimed
EP-0416038-A1 NOVEL CHEMILUMINESCENT FUSED POLYCYCLIC RING-CONTAINING 1,2-DIOXETANES AND ASSAYS IN WHICH THEY ARE USED. TROPIX INC (US) 1991-03-13 EP claimed
WO-1990000164-A1 NOVEL CHEMILUMINESCENT FUSED POLYCYCLIC RING-CONTAINING 1,2-DIOXETANES AND ASSAYS IN WHICH THEY ARE USED TROPIX, INC. (US) 1990-01-11 WO claimed
EP-3415641-B1 METHOD FOR ANALYSIS OF MOLECULES PACIFIC BIOSCIENCES CALIFORNIA INC (US) 2023-11-01 EP disclosed
EP-3415641-A1 METHOD FOR ANALYSIS OF MOLECULES Pacific Biosciences Of California, Inc. (US) 2018-12-19 EP disclosed
US-20180100191-A1 ENZYMATIC NUCLEIC ACID SYNTHESIS: COMPOSITIONS AND METHODS FOR INHIBITING PYROPHOSPHOROLYSIS VISIGEN BIOTECHNOLOGIES, INC. 2018-04-12 US disclosed
US-9845500-B2 Enzymatic nucleic acid synthesis: compositions and methods for inhibiting pyrophosphorolysis Life Technologies Corporation (US) 2017-12-19 US disclosed
US-20170343479-A1 APPARATUS AND METHOD FOR PERFORMING NUCLEIC ACID ANALYSIS PACIFIC BIOSCIENCES CALIFORNIA INC (US) 2017-11-30 US disclosed
US-9709503-B2 Apparatus and method for performing nucleic acid analysis PACIFIC BIOSCIENCES OF CALIFORNIA, INC. (US) 2017-07-18 US disclosed
US-9588051-B2 Apparatus and method for performing nucleic acid analysis PACIFIC BIOSCIENCES OF CALIFORNIA, INC. (US) 2017-03-07 US disclosed
US-20170002409-A1 APPARATUS AND METHOD FOR PERFORMING NUCLEIC ACID ANALYSIS PACIFIC BIOSCIENCES OF CALIFORNIA, INC. 2017-01-05 US disclosed
WO-2002044425-A2 ENZYMATIC NUCLEIC ACID SYNTHESIS: COMPOSITIONS AND METHODS FOR ALTERING MONOMER INCORPORATION FIDELITY VISIGEN BIOTECHNOLOGIES, INC. (US) 2002-06-06 WO disclosed
US-6399335-B1 MIXING POLYMERASE AND NUCLEOSIDE TRIPHOSPHATE HAVING A GAMMA PHOSPHATE PHOSPHOESTER-LINKED FUNCTIONAL GROUP, INCUBATING SO THAT POLYMERASE CATALYZES CLEAVAGE BETWEEN ALPHA AND BETA PHOSPHATES AND LIBERATES PYROPHOSPHATE WITH FUNCTIONAL GROUP ADVANCED RESEARCH AND TECHNOLOGY INSTITUTE, INC. 2002-06-04 US disclosed
EP-0416038-B1 NOVEL CHEMILUMINESCENT FUSED POLYCYCLIC RING-CONTAINING 1,2-DIOXETANES AND ASSAYS IN WHICH THEY ARE USED TROPIX INC (US) 1997-03-26 EP disclosed
EP-0416038-A4 NOVEL CHEMILUMINESCENT FUSED POLYCYCLIC RING-CONTAINING 1,2-DIOXETANES AND ASSAYS IN WHICH THEY ARE USED 1992-02-26 EP disclosed
EP-0416038-A1 NOVEL CHEMILUMINESCENT FUSED POLYCYCLIC RING-CONTAINING 1,2-DIOXETANES AND ASSAYS IN WHICH THEY ARE USED. TROPIX INC (US) 1991-03-13 EP disclosed
US-4952707-A DECOMPOSITION TO LIGHT EMITTING FLUOROPHORE; ANALYSIS TROPIX, INC. (US) 1990-08-28 US disclosed
WO-1990000164-A1 NOVEL CHEMILUMINESCENT FUSED POLYCYCLIC RING-CONTAINING 1,2-DIOXETANES AND ASSAYS IN WHICH THEY ARE USED TROPIX, INC. (US) 1990-01-11 WO disclosed
US-4374262-A Preparation of hydroxy aromatic carboxylic acids and ester derivatives thereof CELANESE CORPORATION (US) 1983-02-15 US 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-20180100191-A1 ENZYMATIC NUCLEIC ACID SYNTHESIS: COMPOSITIONS AND METHODS FOR INHIBITING PYROPHOSPHOROLYSIS RNGTT, PPA1, PNP PLAU 2720/4885HSD17B1 2945/4885HSD17B2 3447/4885

“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.