SCHEMBL6045650

SCHEMBL6045650

CCCCCC(Br)(CC)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 7/20 0.41
LCK P06239 1/20 0.41
ZDHHC20 Q5W0Z9 1/20 0.41
ZDHHC2 Q9UIJ5 1/20 0.41
CES2 O00748 1/20 0.39
AKR1B1 P15121 1/20 0.39
GPR84 Q9NQS5 7/20 0.38
PPARG P37231 6/20 0.38
PPARA Q07869 6/20 0.38
HDAC11 Q96DB2 5/20 0.38
TSHR P16473 4/20 0.38
ALDH1A1 P00352 2/20 0.38
TLR2 O60603 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
FABP4 P15090 2/20 0.38
PTPN1 P18031 2/20 0.38
SLC22A6 Q4U2R8 1/20 0.38
SLC22A8 Q8TCC7 1/20 0.38
MEN1 O00255 1/20 0.38
ESR1 P03372 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
SCHEMBL6931988 0.98 PPARD (0.44) PPARDLCKZDHHC20ZDHHC2CES2
SCHEMBL7776233 0.98 PPARD (0.44) PPARDLCKZDHHC20ZDHHC2CES2
SCHEMBL7530157 0.98 PPARD (0.44) PPARDLCKZDHHC20ZDHHC2CES2
SCHEMBL11156087 0.98 PPARD (0.44) PPARDLCKZDHHC20ZDHHC2CES2
SCHEMBL6045545 0.93 PPARD (0.38) PPARDLCKZDHHC20ZDHHC2AKR1B1
SCHEMBL27520410 0.89 PPARD (0.47) PPARDLCKZDHHC20ZDHHC2CES2
SCHEMBL28985021 0.87 PPARD (0.45) PPARDLCKZDHHC20ZDHHC2CES2
SCHEMBL12003172 0.85 PPARD (0.44) PPARDLCKZDHHC20ZDHHC2CES2
SCHEMBL1732567 0.84 MEN1 (0.35) PPARDLCKZDHHC20ZDHHC2ALDH1A1
SCHEMBL1732836 0.84 MEN1 (0.35) PPARDLCKZDHHC20ZDHHC2ALDH1A1

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060252774-A1 Regulation of type 5 adenylyl cyclase for treatment of neurodegenerative and cardiac diseases NEW JERSEY, UNIVERSITY OF MEDICINE AND DENTISTRY OF 2006-11-09 US disclosed
US-6887880-B2 Adenine based inhibitors of adenylyl cyclase, pharmaceutical compositions, and method of use thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2005-05-03 US disclosed
US-20020068745-A1 Adenine based inhibitors of adenylyl cyclase, pharmaceutical compositions, and method of use thereof MILLENNIUM PHARMACEUTICALS, INC. 2002-06-06 US disclosed
WO-2002040481-A2 ADENINE BASED INHIBITORS OF ADENYLYL CYCLASE, PHARMACEUTICAL COMPOSITIONS AND METHOD OF USE THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2002-05-23 WO disclosed
EP-1203767-A1 Heterocyclic-substituted alkylamide acat inhibitors WARNER-LAMBERT COMPANY (US) 2002-05-08 EP disclosed
US-6288086-B1 COMPOUNDS SUCH AS 1-METHYL-4-(4-BUTOXY-BENZENESULFONYL) -PIPERIDINE-4-CARBOXYLIC ACID HYDROXYAMIDE USED TO TREAT ARTHRITIS, TUMOR METASTASIS, TISSUE ULCERATION, ABNORMAL WOUND HEALING, ETC.; LOW MOLECULAR WEIGHT AND NON-PEPTIDAL AMERICAN CYANAMID COMPANY 2001-09-11 US disclosed
US-5693657-A USEFUL FOR TREATING HYPERCHOLESTEROLEMIA OR ATHEROSCLEROSIS WARNER-LAMBERT COMPANY (US) 1997-12-02 US disclosed
US-5646170-A ACYLCOENZYME A:CHOLESTEROL ACYLTRANSFERASE INHIBITORS WARNER-LAMBERT COMPANY (US) 1997-07-08 US disclosed
EP-0600950-B1 AMIDE TETRAZOLE ACAT INHIBITORS WARNER LAMBERT CO (US) 1996-10-23 EP disclosed
US-5521218-A Nanoparticulate iodipamide derivatives for use as x-ray contrast agents NANOSYSTEMS L.L.C. (US) 1996-05-28 US disclosed
EP-0684945-A1 HETEROCYCLIC-SUBSTITUTED ALKYL AMIDE ACAT INHIBITORS WARNER-LAMBERT COMPANY (US) 1995-12-06 EP disclosed
US-5472946-A Topical administration of lincomycin, clindamycin, erthromycin and iododeoxyuridine on skin or mucuous membranes DISCOVERY THERAPEUTICS, INC. 1995-12-05 US disclosed
US-5441975-A Anticholesterol agent WARNER-LAMBERT COMPANY (US) 1995-08-15 US disclosed
US-5366987-A Enzyme inhibitors, anticholesterol WARNER-LAMBERT COMPANY (US) 1994-11-22 US disclosed
WO-1994019330-A1 HETEROCYCLIC-SUBSTITUTED ALKYL AMIDE ACAT INHIBITORS WARNER-LAMBERT COMPANY (US) 1994-09-01 WO disclosed
EP-0600950-A1 AMIDE TETRAZOLE ACAT INHIBITORS. WARNER LAMBERT CO (US) 1994-06-15 EP disclosed
WO-1993004052-A1 AMIDE TETRAZOLE ACAT INHIBITORS WARNER-LAMBERT COMPANY (US) 1993-03-04 WO disclosed
EP-0156245-A1 7-oxabicycloheptane substituted prostaglandin interphenylene analogs E.R. Squibb & Sons, Inc. (US) 1985-10-02 EP disclosed
US-4536513-A 7-Oxabicycloheptane substituted prostaglandin interphenylene analogs useful in the treatment of thrombolytic disease E. R. SQUIBB & SONS, INC. (US) 1985-08-20 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-20020068745-A1 Adenine based inhibitors of adenylyl cyclase, pharmaceutical compositions, and method of use thereof CD38, ADCY1, ADCY2 PPARD 4533/4885LCK 3000/4885ZDHHC20 1488/4885
US-20060252774-A1 Regulation of type 5 adenylyl cyclase for treatment of neurodegenerative and cardiac diseases ADCY5, ADCY6, ADCY2 PPARD 4028/4885LCK 3621/4885ZDHHC20 716/4885

“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.