SCHEMBL698590

SCHEMBL698590

O=P(Cl)(Cl)OCc1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.63
CETP P11597 3/20 0.47
ALDH1A1 P00352 2/20 0.47
IDO1 P14902 1/20 0.44
SRC P12931 1/20 0.44
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
PDPK1 O15530 1/20 0.43
MTOR P42345 1/20 0.43
AGXT P21549 1/20 0.43
ALPG P10696 1/20 0.43
PTK2B Q14289 1/20 0.43
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
FOLH1 Q04609 1/20 0.41
NR4A1 P22736 1/20 0.41
NR4A2 P43354 1/20 0.41
NR4A3 Q92570 1/20 0.41
LMNA P02545 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
SCHEMBL85540 0.86 TSHR (0.63) TSHRCETPALDH1A1IDO1SRC
SCHEMBL6752075 0.83 TSHR (0.70) TSHRCETPALDH1A1SRCNPC1
SCHEMBL12746424 0.83 TSHR (0.59) TSHRCETPALDH1A1IDO1SRC
SCHEMBL11327519 0.82 TSHR (0.50) TSHRCETPALDH1A1PDPK1MTOR
SCHEMBL206609 0.81 TSHR (0.68) TSHRCETPALDH1A1IDO1SRC
SCHEMBL5269070 0.81 TSHR (0.57) TSHRCETPALDH1A1IDO1SRC
SCHEMBL2415748 0.79 TSHR (0.55) TSHRCETPALDH1A1IDO1SRC
SCHEMBL11417339 0.79 TSHR (0.55) TSHRCETPALDH1A1IDO1SRC
Bromide SCHEMBL28778359 0.79 TSHR (0.55) TSHRCETPALDH1A1IDO1SRC
SCHEMBL3705675 0.79 TSHR (0.65) TSHRCETPALDH1A1IDO1SRC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118459766-A Fluorosilicone oil containing phosphate and preparation method thereof 中国科学院上海有机化学研究所 2024-08-09 CN claimed
CN-110357947-B Combretastatin A4 derivative 南京恒远科技开发有限公司 2023-05-26 CN claimed
CN-101220055-B Method for preparing fluoroquinolone compounds containing phosphoric acid ester group SHANGHAI YANGFAN MEDICINE TECHNOLOGY LTD 2011-09-07 CN claimed
CN-101100474-B Fluoroquinolone compound containing phosphate group, preparation method and application thereof in preparing medicine Shanghai yangfan medicine science and technology co ltd 2011-06-08 CN claimed
US-7704990-B2 Agents for preventing and treating disorders involving modulation of the RyR receptors THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2010-04-27 US claimed
US-20090292119-A1 METHODS FOR SYNTHESIZING BENZOTHIAZEPINE COMPOUNDS THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2009-11-26 US claimed
CN-101220055-A Method for preparing fluoroquinolone compounds containing phosphoric acid ester group SHANGHAI YANGFAN MEDICINE TECH (CN) 2008-07-16 CN claimed
CN-101100474-A Fluoroquinolone compound containing phosphate group, preparation method and application thereof SHANGHAI YANGFAN MEDICINE SCIE (CN) 2008-01-09 CN claimed
US-20070049572-A1 Novel agents for preventing and treating disorders involving modulation of the RyR receptors THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2007-03-01 US claimed
US-20060194767-A1 Novel agents for preventing and treating disorders involving modulation of the RyR receptors THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2006-08-31 US claimed
CN-118459766-A Fluorosilicone oil containing phosphate and preparation method thereof 中国科学院上海有机化学研究所 2024-08-09 CN disclosed
US-11820727-B1 Capsaicinoid prodrug compounds and their use in treating medical conditions CENTREXION THERAPEUTICS CORPORATION (US) 2023-11-21 US disclosed
US-11820727-B1 Capsaicinoid prodrug compounds and their use in treating medical conditions CENTREXION THERAPEUTICS CORPORATION (US) 2023-11-21 US disclosed
CN-117024658-A Phospholipid terminal functionalized rare earth isoprene rubber and preparation method and application thereof 海南天然橡胶产业集团股份有限公司 2023-11-10 CN disclosed
CN-110357947-B Combretastatin A4 derivative 南京恒远科技开发有限公司 2023-05-26 CN disclosed
US-4544667-A CARBONIC ANHYDRASE INHIBITOR; VISION DEFECTS MERCK & CO., INC. (US) 1985-10-01 US disclosed
EP-0152340-A1 2-Sulfamoylbenzo[b]furan derivatives and ophtalmic composition for the treatment of elevated intraocular pressure MERCK & CO. INC. (US) 1985-08-21 EP disclosed
EP-0129478-A2 2-Sulfamoylbenzo (b) thiophene derivatives, their preparation and pharmaceutical composition for the treatment of elevated intraocular pressure MERCK & CO. INC. (US) 1984-12-27 EP disclosed
US-4242479-A CATALYST OF ALUMINUM TRIHALIDE, ORGANOSILOXANE COMPOUND OR ETHER, MAGNESIUM ALCOHOLATE, TITANIUM-HALOGEN AND ORGANOALUMINUM COMPOUNDS SHOWA YUKA KABUSHIKI KAISHA (JP) 1980-12-30 US disclosed
US-4030933-A FOR CELLULOSE ACETATES CELANESE CORPORATION (US) 1977-06-21 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 (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-20070049572-A1 Novel agents for preventing and treating disorders involving modulation of the RyR receptors RYR2, RYR1, ATP2A1 TSHR 1830/4885CETP 3752/4885ALDH1A1 1194/4885
US-11820727-B1 Capsaicinoid prodrug compounds and their use in treating medical conditions TRPV1, TRPV2, TRPV3 TSHR 4502/4885CETP 846/4885ALDH1A1 1787/4885
US-20060194767-A1 Novel agents for preventing and treating disorders involving modulation of the RyR receptors RYR2, RYR1, ATP2A1 TSHR 1830/4885CETP 3752/4885ALDH1A1 1194/4885
US-20090292119-A1 METHODS FOR SYNTHESIZING BENZOTHIAZEPINE COMPOUNDS KCNB2, KCNJ2, KCNJ5 TSHR 3363/4885CETP 1211/4885ALDH1A1 886/4885

“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.