SCHEMBL652779

SCHEMBL652779

CCCCC(CC)(CC)C(=O)[O-].CCCCC(CC)(CC)C(=O)[O-].[Pb+2]

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.39
CES1 P23141 6/20 0.39
CES2 O00748 6/20 0.39
CYP4F2 P78329 1/20 0.37
CYP4A11 Q02928 1/20 0.37
FDPS P14324 1/20 0.34
FFAR3 O14843 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
CA2 P00918 1/20 0.33
EPHX1 P07099 1/20 0.32

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
SCHEMBL10599714 0.98 CA1 (0.41) CA1CES1CES2CYP4F2CYP4A11
SCHEMBL10495891 0.95 CA1 (0.39) CA1CES1CES2CYP4F2CYP4A11
SCHEMBL332305 0.95 CA1 (0.39) CA1CES1CES2CYP4F2CYP4A11
SCHEMBL6889313 0.95 CA1 (0.39) CA1CES1CES2CYP4F2CYP4A11
SCHEMBL17472936 0.95 CA1 (0.39) CA1CES1CES2CYP4F2CYP4A11
Silver SCHEMBL25380476 0.95 CA1 (0.39) CA1CES1CES2CYP4F2CYP4A11
Zinc Ion SCHEMBL546648 0.95 CA1 (0.39) CA1CES1CES2CYP4F2CYP4A11
SCHEMBL17476400 0.95 CA1 (0.44) CA1CES1CES2CYP4F2CYP4A11
SCHEMBL8939650 0.95 CA1 (0.39) CA1CES1CES2CYP4F2CYP4A11
SCHEMBL7649654 0.95 CA1 (0.39) CA1CES1CES2CYP4F2CYP4A11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2023924-B1 ARYL-FUSED SPIROCYCLIC COMPOUNDS MERCK SHARP & DOHME (US) 2016-08-03 EP claimed
US-20090239849-A1 Aryl-Fused Spirocyclic Compounds MERCK SHARP & DOHME LLC 2009-09-24 US claimed
JP-5295271-A None JP disclosed
JP-5295272-A None JP disclosed
JP-5320517-A None JP disclosed
CN-110511373-B Fluorine-containing organosilicon compound, method for producing same, room-temperature-curable fluorine-containing rubber composition, cured product thereof, and article 信越化学工业株式会社 2024-04-02 CN disclosed
CN-116348509-A Coating composition 佐敦公司 2023-06-27 CN disclosed
CN-116323852-A Composition for sealing covered wire, and covered wire 东亚合成株式会社 2023-06-23 CN disclosed
CN-109415594-B Coating composition 关西涂料株式会社 2021-03-09 CN disclosed
EP-3327097-B1 COATING MATERIAL AND LAMINATE DAIKIN IND LTD (JP) 2020-09-16 EP disclosed
US-10457835-B2 Coating agent composition THREEBOND CO., LTD. (JP) 2019-10-29 US disclosed
JP-H05295271-A SILICONE COMPOSITION CURABLE WITH MOISTURE AND LIGHT THREE BOND CO LTD 1993-11-09 JP disclosed
JP-H05295272-A SILICONE COMPOSITION CURABLE WITH MOISTURE AND LIGHT THREE BOND CO LTD 1993-11-09 JP disclosed
US-5126171-A METHOD OF FORMING A SEALANT HAVING ORGANOPOLYSILOXANES AS A MAIN INGREDIENT THREE BOND CO., LTD. (JP) 1992-06-30 US disclosed
EP-0409079-A2 A method of forming a sealant having organopolysiloxanes as a main ingredient THREE BOND CO., LTD. (JP) 1991-01-23 EP disclosed
US-4595445-A Adhesive is thermosetting reactive polyisocyanate-polyamine activated by heat or polar solvents BAYER AKTIENGESELLSCHAFT (DE) 1986-06-17 US disclosed
US-4563498-A LOW MODULUS RUBBERS FREE OF PLASTICIZING FLUID GENERAL ELECTRIC COMPANY (US) 1986-01-07 US disclosed
US-4555420-A DIFUNCTIONAL NITROGEN-CONTAINING SILANE CURING AGENTS; LOW MODULUS ENCAPPED POLYSILOXANES GENERAL ELECTRIC COMPANY (US) 1985-11-26 US disclosed
US-RE29760-E RUBBER FOR COATING, SEALANT OR CAULK DOW CORNING CORPORATION (US) 1978-09-12 US disclosed
US-3997496-A Process for the preparation of fluorosilicone polymers and copolymers GENERAL ELECTRIC COMPANY (US) 1976-12-14 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-20090239849-A1 Aryl-Fused Spirocyclic Compounds HDAC1, BRDT, HDAC5 CA1 949/4885CES1 2610/4885CES2 3350/4885

“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.