SCHEMBL2859752

SCHEMBL2859752

CCCCOP(Cl)OCCCC

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.41
ADRB1 P08588 1/20 0.41
ADRB3 P13945 1/20 0.41
TSHR P16473 7/20 0.36
CYP3A4 P08684 2/20 0.36
ALDH1A1 P00352 2/20 0.35
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
LMNA P02545 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
ATM Q13315 1/20 0.32
THRB P10828 1/20 0.32
HPGD P15428 2/20 0.30
SMN1; SMN2 Q16637 2/20 0.30

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
SCHEMBL887259 0.92 THRB (0.37) TSHRALDH1A1CA1CA2THRB
SCHEMBL11615338 0.89 THRB (0.42) TSHRALDH1A1CA1CA2THRB
SCHEMBL11310968 0.89 THRB (0.42) TSHRALDH1A1CA1CA2THRB
SCHEMBL9329861 0.89 THRB (0.42) TSHRALDH1A1CA1CA2THRB
SCHEMBL9329817 0.89 THRB (0.42) TSHRALDH1A1CA1CA2THRB
1,4-Butanediol SCHEMBL11789543 0.88 SMN1; SMN2 (0.48) ADRB2ADRB1ADRB3TSHRALDH1A1
SCHEMBL3899062 0.85
SCHEMBL2863621 0.81
SCHEMBL11442686 0.80
SCHEMBL10405812 0.78

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116348448-A Scalable synthetic routes to siloxine and silodosin 明德赛特制药公司 2023-06-27 CN claimed
US-8453425-B2 Soot reduction by combustor conditioning LOCKHEED MARTIN CORPORATION (US) 2013-06-04 US claimed
US-20100186387-A1 Soot Reduction By Combustor Conditioning GENERAL ELECTRIC COMPANY 2010-07-29 US claimed
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 claimed
CN-112028936-A Purification method of methyl phosphonous acid dialkyl ester 河北威远生物化工有限公司 2020-12-04 CN disclosed
US-8453425-B2 Soot reduction by combustor conditioning LOCKHEED MARTIN CORPORATION (US) 2013-06-04 US disclosed
US-20100186387-A1 Soot Reduction By Combustor Conditioning GENERAL ELECTRIC COMPANY 2010-07-29 US disclosed
EP-1318156-B1 Novel asymmetric phosphine ligand TAKASAGO PERFUMERY CO LTD (JP) 2010-01-20 EP disclosed
EP-1318155-B1 Novel asymmetric phosphine ligand TAKASAGO PERFUMERY CO LTD (JP) 2005-03-23 EP disclosed
US-6730629-B2 HYDROGENATION CATALYST TAKASAGO INTERNATIONAL CORPORATION (JP) 2004-05-04 US disclosed
US-6624320-B2 Phosphorane compound hydrogenation catalyts; stereospecific; catalyst selectivity TAKASAGO INTERNATIONAL CORPORATION (JP) 2003-09-23 US disclosed
US-20030144138-A1 NOVEL ASYMMETRIC PHOSPHINE LIGAND TAKASAGO INTERNATIONAL CORPORATION (JP) 2003-07-31 US 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-4237075-A Formamide catalysts for reacting phosphorus halides with thiols MOBIL OIL CORPORATION (US) 1980-12-02 US disclosed
US-4222930-A VULCANIZABLE RUBBER, SILICEOUS FILLER DEUTSCHE GOLD- UND SILBER-SCHEIDEANSTALT VORMALS ROESSLER (DE) 1980-09-16 US disclosed
US-4187385-A TITANIUM COMPONENT COPULVERIZED WITH ORGANOALUMINUM COMPOUND AND ETHYLENE OR A-OLEFINS, PARTICLE SIZE MITSUI TOATSU CHEMICAL, INC. (JP) 1980-02-05 US disclosed
US-4152347-A REINFORCING AGENTS IN VULCANIZABLE RUBBER MIXTURES WHICH CONTAIN A SILICA FILLER DEUTSCHE GOLD- UND SILBER-SCHEIDEANSTALT VORMALS ROESSLER (DE) 1979-05-01 US disclosed
US-4079103-A Process for the production of phosphite chlorides CIBA-GEIGY CORPORATION (US) 1978-03-14 US disclosed
US-4032602-A PROCESS FOR THE PRODUCTION OF PHOSPHITE CHLORIDES CIBA-GEIGY CORPORATION (US) 1977-06-28 US disclosed
US-4028481-A ACTIVATED TITANIUM TRICHLORIDE AND AN ORGANOALUMINUM COMPOUND MITSUI TOATSU CHEMICALS, INCORPORATED (JA) 1977-06-07 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-20030144138-A1 NOVEL ASYMMETRIC PHOSPHINE LIGAND PHOSPHO1, PLCG2, PLCB3 ADRB2 775/4885ADRB1 1110/4885ADRB3 1970/4885

“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.