SCHEMBL2961612

SCHEMBL2961612

O=[N+]([O-])c1ccc(-c2ccc(F)cc2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSPB1 P04792 2/20 0.67
POLB P06746 2/20 0.60
CA12 O43570 1/20 0.55
CA1 P00915 1/20 0.55
CA2 P00918 1/20 0.55
CA9 Q16790 1/20 0.55
CA14 Q9ULX7 1/20 0.55
APP P05067 1/20 0.54
LMNA P02545 3/20 0.52
MAPT P10636 3/20 0.52
KCNJ1 P48048 1/20 0.51
KCNH2 Q12809 1/20 0.51
RAB9A P51151 2/20 0.51
NPC1 O15118 1/20 0.51
ALDH1A1 P00352 3/20 0.50
MAPK1 P28482 2/20 0.50
ACHE P22303 1/20 0.50
HSD17B10 Q99714 1/20 0.50
PTGS1 P23219 1/20 0.50
MAOA P21397 1/20 0.50

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
Water SCHEMBL4218173 0.98 HSPB1 (0.64) HSPB1POLBCA12CA1CA2
SCHEMBL7026994 0.93 HSPB1 (0.75) HSPB1POLBCA12CA1CA2
SCHEMBL536 0.93 HSPB1 (0.75) HSPB1POLBCA12CA1CA2
Fluoride SCHEMBL4551986 0.90 HSPB1 (0.72) HSPB1POLBLMNAMAPTKCNJ1
Water SCHEMBL28147677 0.90 HSPB1 (0.72) HSPB1POLBLMNAMAPTKCNJ1
SCHEMBL28001935 0.90 HSPB1 (0.72) HSPB1POLBLMNAMAPTKCNJ1
Fluoride SCHEMBL4551988 0.90 HSPB1 (0.72) HSPB1POLBLMNAMAPTKCNJ1
Formaldehyde SCHEMBL28237406 0.88 HSPB1 (0.69) HSPB1POLBLMNAMAPTKCNJ1
Ethylene SCHEMBL27864908 0.88 HSPB1 (0.69) HSPB1POLBLMNAMAPTKCNJ1
Ethane SCHEMBL28251595 0.88 HSPB1 (0.69) HSPB1POLBLMNAMAPTKCNJ1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119219454-A Method for preparing aromatic nitrile compound by photoinitiating nitroarene denitration cyanation 武汉光化学技术研究院 2024-12-31 CN disclosed
WO-2017202772-A1 FLUORINATED POLYMERS COMPRISING AROMATIC END GROUPS SOLVAY SPECIALTY POLYMERS ITALY S.P.A. (IT) 2017-11-30 WO disclosed
US-7772446-B2 Method for producing substituted biphenyls BASF SE (DE) 2010-08-10 US disclosed
EP-1856024-B1 METHOD FOR PRODUCING SUBSTITUTED BIPHENYLS BASF SE (DE) 2008-08-06 EP disclosed
US-20080183021-A1 Method for Producing Substituted Biphenyls BASF SE (DE) 2008-07-31 US disclosed
EP-1856024-A1 METHOD FOR PRODUCING SUBSTITUTED BIPHENYLS BASF AKTIENGESELLSCHAFT (DE) 2007-11-21 EP disclosed
WO-2006092429-A1 METHOD FOR PRODUCING SUBSTITUTED BIPHENYLS BASF AKTIENGESELLSCAHFT (DE) 2006-09-08 WO disclosed
US-6362380-B1 REACTING 2-NITROCHLOROBENZENE AND A BORONIC ACID ; PALLADIUM CATALYST BASF AKTIENGESELLSCHAFT (DE) 2002-03-26 US disclosed
EP-0888261-B1 PROCESS FOR PREPARING NITROBIPHENYLENE BASF AG (DE) 2001-11-28 EP disclosed
US-6242654-B1 REACTING A PHENOLATE COMPOUND WITH AN ORGANIC FLUORINATING AGENT TO PREPARE A FLUORINE SUBSTITUTED AROMATIC COMPOUND MITSUI CHEMICALS, INC. (JP) 2001-06-05 US disclosed
US-4913844-A ISOTROPIC; TRANSPARENT OPTICAL COMPONENTS IN LIGHT SWITCHES AND MODULATORS HOECHST CELANESE CORP. (US) 1990-04-03 US disclosed
EP-0332851-A1 Condensation polymers exhibiting nonlinear optical response HOECHST CELANESE CORPORATION (US) 1989-09-20 EP disclosed
US-4867540-A Condensation polymers exhibiting nonlinear optical response HOECHST CELANESE CORP. (US) 1989-09-19 US disclosed
EP-0328268-A1 Acrylic polymers and copolymers exhibiting nonlinear optical response HOECHST CELANESE CORPORATION (US) 1989-08-16 EP disclosed
EP-0321891-A2 Bisacrylate monomers and polymers exhibiting nonlinear optical response HOECHST CELANESE CORPORATION (US) 1989-06-28 EP disclosed
US-4826950-A Condensation polymers exhibiting nonlinear optical response HOECHST CELANESE CORPORATION (US) 1989-05-02 US disclosed
US-4196215-A Alkyne compounds and method of use MERCK PATENT GESELLSCHAFT MIT BESCHRAENKTER HAFTUNG (DE) 1980-04-01 US disclosed
US-4151294-A Alkynols and process for their preparation MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1979-04-24 US disclosed
US-4115456-A Alkyne compounds and method of use MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1978-09-19 US disclosed
US-4044049-A Phenyl benzoic acid compounds MERCK & CO., INC. (US) 1977-08-23 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-20080183021-A1 Method for Producing Substituted Biphenyls CBR3, DDT, HRH3 HSPB1 2101/4885POLB 1232/4885CA12 3047/4885

“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.