SCHEMBL5145331

SCHEMBL5145331

CCCCCO[P](=O)OCCCCC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 9/20 0.41
CA2 P00918 9/20 0.41
CA9 Q16790 8/20 0.41
LPAR3 Q9UBY5 3/20 0.39
CA12 O43570 3/20 0.39
CA7 P43166 3/20 0.39
CA14 Q9ULX7 3/20 0.39
LPAR1 Q92633 2/20 0.39
LPAR2 Q9HBW0 2/20 0.39
CA3 P07451 2/20 0.39
CA4 P22748 2/20 0.39
CA6 P23280 2/20 0.39
CA5A P35218 2/20 0.39
CA5B Q9Y2D0 2/20 0.39
NAAA Q02083 1/20 0.39
RECQL P46063 2/20 0.38
TSHR P16473 2/20 0.38
CES2 O00748 1/20 0.38
GLA P06280 1/20 0.38
HPGD P15428 1/20 0.38

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
SCHEMBL78605 0.97 CA1 (0.43) CA1CA2CA9LPAR3CA12
SCHEMBL9225312 0.97 CA1 (0.43) CA1CA2CA9LPAR3CA12
SCHEMBL6405689 0.97 CA1 (0.43) CA1CA2CA9LPAR3CA12
SCHEMBL4811160 0.97 CA1 (0.43) CA1CA2CA9LPAR3CA12
SCHEMBL10607618 0.95 CA1 (0.41) CA1CA2CA9LPAR3CA12
SCHEMBL10738821 0.95 CA1 (0.41) CA1CA2CA9LPAR3CA12
SCHEMBL837010 0.92 CYP3A4 (0.42) CA1CA2CA9LPAR3LPAR1
SCHEMBL1930608 0.83 TSHR (0.41) CA1CA2CA9LPAR3CA12
SCHEMBL1123881 0.81 CA1 (0.43) CA1CA2CA9LPAR3CA12
SCHEMBL4443862 0.81 CA1 (0.43) CA1CA2CA9LPAR3CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4445928-A Herbicidal aminosulfenamide derivatives of N-phosphonomethylglycine triesters MONSANTO COMPANY (US) 1984-05-01 US claimed
US-7217706-B2 Propanolamine derivatives ASTELLAS PHARMA INC. (JP) 2007-05-15 US disclosed
US-20050043358-A1 Aminoalcohol derivatives and their use as beta 3 adrenergic agonists FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2005-02-24 US disclosed
EP-1149094-B1 4-(AMINOALKOXY)BENZOFURANS AS N-MYRISTOYLTRANSFERASE INHIBITORS BASILEA PHARMACEUTICA AG (CH) 2004-04-21 EP disclosed
EP-1023044-B1 APATITE-COATED SOLID COMPOSITION TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2004-02-04 EP disclosed
EP-1382333-A2 Use of beta 3 adrenergic receptor agonists in the treatment of dysuria FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-01-21 EP disclosed
US-20030185878-A1 Process for producing phospholipid-containing drug TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2003-10-02 US disclosed
US-6552054-B1 For prophylaxis and therapy of bone diseases and chondropathy TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2003-04-22 US disclosed
EP-1293197-A1 PROCESS FOR PRODUCING PHOSPHOLIPID-CONTAINING DRUGS Takeda Chemical Industries, Ltd. (JP) 2003-03-19 EP disclosed
US-6495546-B1 SUCH AS 1-(N-BENZYL-N-(3-METHOXY-6,7,8,9-TETRAHYDRO-5H-BENZO-CYCLOHEPTEN-6-YL)AMINO)-3-PHENOXY-2-PROPANOL; ADRENERGIC RECEPTOR AGONISTS; ANTIULCEROUS, LIPOLYTIC, ANTIURINARY INCONTINENCE AND ANTIPOLLAKIURIA ACTIVITIES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-12-17 US disclosed
EP-0564928-B1 Phenylacetic acid derivatives, their preparation and use as pesticides BASF AG (DE) 1997-01-15 EP disclosed
WO-1996039134-A1 OSTEOGENETIC PROMOTING PHARMACEUTICAL COMPOSITION TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-12-12 WO disclosed
WO-1996034866-A1 IMIDAZO 1,2-A PYRIDINE AND IMIDAZO 1,2-A PYRIDEZINE DERIVATIVES AND THEIR USE AS BONE RESORPTION INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-11-07 WO disclosed
US-5543433-A BROAD SPECTRUM; IN PARTICULAR ASCOMYCETES AND BASIDIOMYCETES BASF AKTIENGESELLSCHAFT (DE) 1996-08-06 US disclosed
WO-1995029907-A1 BENZOFURAN DERIVATIVES USEFUL AS INHIBITORS OF BONE RESORPTION FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1995-11-09 WO disclosed
US-5389619-A Fungicide, insecticide and miticide; phenylacetic acid derivatives BASF AKTIENGESELLSCHAFT (DE) 1995-02-14 US disclosed
EP-0627411-A1 Azine-substituted phenylacetic acid derivatives and fungicides containing them BASF Aktiengesellschaft (DE) 1994-12-07 EP disclosed
EP-0564928-A2 Phenylacetic acid derivatives, their preparation and use as pesticides BASF Aktiengesellschaft (DE) 1993-10-13 EP disclosed
US-4519832-A Unsymmetrical aminosulfinamide derivatives of N-phosphonomethylglycine triesters, herbicidal compositions and use MONSANTO COMPANY (US) 1985-05-28 US disclosed
US-4445928-A Herbicidal aminosulfenamide derivatives of N-phosphonomethylglycine triesters MONSANTO COMPANY (US) 1984-05-01 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 (2 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-20030185878-A1 Process for producing phospholipid-containing drug PHOSPHO1, PLTP, PTDSS2 CA1 2773/4885CA2 3480/4885CA9 2756/4885
US-20050043358-A1 Aminoalcohol derivatives and their use as beta 3 adrenergic agonists ADRB2, ADRB1, ADRB3 CA1 4698/4885CA2 1208/4885CA9 4064/4885

“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.