SCHEMBL868072

SCHEMBL868072

BrC=P(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.39
CA2 P00918 1/20 0.38
CA4 P22748 1/20 0.38
CA5A P35218 1/20 0.38
TSHR P16473 4/20 0.36
ALOX15 P16050 2/20 0.36
ALDH1A1 P00352 6/20 0.33
ESR1 P03372 3/20 0.33
TDP1 Q9NUW8 3/20 0.33
ESR2 Q92731 2/20 0.33
CFTR P13569 1/20 0.33
GAA P10253 4/20 0.32
L3MBTL1 Q9Y468 3/20 0.32
ALOX12 P18054 2/20 0.32
MAPT P10636 1/20 0.32
ALPG P10696 1/20 0.32
NPY1R P25929 1/20 0.32
HTT P42858 1/20 0.32
NPY2R P49146 1/20 0.32
NPSR1 Q6W5P4 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
Bromide SCHEMBL5063713 0.97 HSP90AA1 (0.38) HSP90AA1CA2CA4CA5ATSHR
SCHEMBL28789193 0.78 TSHR (0.35) HSP90AA1TSHRALDH1A1
SCHEMBL10176540 0.77 HSP90AA1 (0.39) HSP90AA1CA2CA4CA5ATSHR
SCHEMBL688290 0.77 HSP90AA1 (0.43) HSP90AA1CA2CA4CA5ATSHR
SCHEMBL6397176 0.71 HSP90AA1 (0.43) HSP90AA1CA2CA4CA5ATSHR
SCHEMBL4968872 0.71 CA2 (0.43) HSP90AA1CA2CA4CA5ATSHR
SCHEMBL306807 0.71 TSHR (0.41) HSP90AA1CA2CA4CA5ATSHR
SCHEMBL3140190 0.71 HSP90AA1 (0.39) HSP90AA1CA2CA4CA5ATSHR
SCHEMBL7633171 0.71 HSP90AA1 (0.39) HSP90AA1CA2CA4CA5ATSHR
SCHEMBL7096547 0.70 ALDH1A1 (0.36) HSP90AA1CA2CA4CA5ATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0139731-A1 5-ETHYNYL-PROSTACYCLYNE, PRODUCTION PROCESS THEREOF AND PHARMACEUTICAL UTILISATION THEREOF SCHERING AKTIENGESELLSCHAFT (DE) 1985-05-08 EP claimed
WO-1984004307-A1 5-ETHYNYL-PROSTACYCLYNE, PRODUCTION PROCESS THEREOF AND PHARMACEUTICAL UTILISATION THEREOF SCHERING AG (DE) 1984-11-08 WO claimed
US-20120074336-A1 LIGHT-DRIVEN ROTARY MOLECULAR MOTORS BOARD OF REGENTS OF THE NEVADA SYSTEM OF HIGHER EDUCATION, ON BEHALF OF THE (US) 2012-03-29 US disclosed
US-7964722-B2 Light-driven rotary molecular motors BOARD OF REGENTS OF THE NEVADA SYSTEM OF HIGHER EDUCATION, ON BEHALF OF THE UNIVERSITY OF NEVADA, RENO (US) 2011-06-21 US disclosed
EP-1735303-B1 1,3,4-OXADIAZOL-2-ONES AS PPAR DELTA MODULATORS AND THEIR USE THEREOF AVENTIS PHARMA INC (US) 2011-04-27 EP disclosed
US-20110077394-A1 LIGHT-DRIVEN ROTARY MOLECULAR MOTORS NATIONAL SCIENCE FOUNDATION 2011-03-31 US disclosed
US-7872032-B2 1, 3, 4-oxadiazol-2-ones as PPAR delta modulators and their use thereof AVENTIS PARMACEUTICALS INC. (US) 2011-01-18 US disclosed
US-20100035878-A1 INHIBITORS OF C-JUN N-TERMINAL KINASES FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS RELATING TO APOPTOSIS AND/OR INFLAMMATION EISAI R & D MANAGEMENT CO., LTD. (JP) 2010-02-11 US disclosed
US-7638539-B2 1, 3, 4-oxadiazol-2-ones as peroxisome-proliferator activated receptor delta modulators and their use in the treatment of neurological and metabolic disease AVENTIS PHARMACEUTICALS INC. (US) 2009-12-29 US disclosed
US-20090275621-A1 1, 3, 4-OXADIAZOL-2-ONES AS PPAR DELTA MODULATORS AND THEIR USE THEREOF AVENTIS PHARMACEUTICALS INC. (US) 2009-11-05 US disclosed
US-7576109-B2 1,3,4-oxadiazol-2-ones as PPAR delta modulators and their use thereof AVENTIS PHARMACEUTICALS INC. (US) 2009-08-18 US disclosed
EP-1735303-A2 1,3,4-OXADIAZOL-2-ONES AS PPAR DELTA MODULATORS AND THEIR USE THEREOF Aventis Pharmaceuticals, Inc. (US) 2006-12-27 EP disclosed
WO-2005097763-A2 1,3,4-OXADIAZOL-2-ONES AS PPAR DELTA AVENTIS PHARMACEUTICALS INC. (US) 2005-10-20 WO disclosed
WO-2005097762-A2 1,3,4-OXADIAZOL-2-ONES AS PPAR DELTA MODULATORS AVENTIS PHARMACEUTICALS INC. (US) 2005-10-20 WO disclosed
EP-0879814-B1 Triaromatic compounds, compositions containing them and uses thereof CT INTERNAT DE BR RECH S DERMA (FR) 2001-11-28 EP disclosed
EP-0879814-A1 Triaromatic compounds, compositions containing them and uses thereof CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (C.I.R.D. GALDERMA) (FR) 1998-11-25 EP disclosed
EP-0139731-A1 5-ETHYNYL-PROSTACYCLYNE, PRODUCTION PROCESS THEREOF AND PHARMACEUTICAL UTILISATION THEREOF SCHERING AKTIENGESELLSCHAFT (DE) 1985-05-08 EP disclosed
WO-1984004307-A1 5-ETHYNYL-PROSTACYCLYNE, PRODUCTION PROCESS THEREOF AND PHARMACEUTICAL UTILISATION THEREOF SCHERING AG (DE) 1984-11-08 WO disclosed
US-4065620-A ANTIBIOTICS ELI LILLY AND COMPANY (US) 1977-12-27 US disclosed
US-4052421-A 13-ETHINYL-STEROIDS AND PROCESSES FOR THEIR MANUFACTURE CIBA-GEIGY CORPORATION (US) 1977-10-04 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 (3 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-20090275621-A1 1, 3, 4-OXADIAZOL-2-ONES AS PPAR DELTA MODULATORS AND THEIR USE THEREOF PPARD, PPARA, PPARG HSP90AA1 2731/4885CA2 3754/4885CA4 4341/4885
US-20100035878-A1 INHIBITORS OF C-JUN N-TERMINAL KINASES FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS RELATING TO APOPTOSIS AND/OR INFLAMMATION NFKBIA, CHUK, MAP3K1 HSP90AA1 963/4885CA2 4547/4885CA4 4848/4885
US-20110077394-A1 LIGHT-DRIVEN ROTARY MOLECULAR MOTORS CCNA2, CCNO, SCO2 HSP90AA1 4079/4885CA2 642/4885CA4 2098/4885

“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.